Home Cart Sign in  
Chemical Structure| 161798-03-4 Chemical Structure| 161798-03-4

Structure of 161798-03-4

Chemical Structure| 161798-03-4

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 161798-03-4 ]

CAS No. :161798-03-4
Formula : C18H21NO4S
M.W : 347.43
SMILES Code : O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C=O)=C2)S1)OCC
MDL No. :MFCD13194811
InChI Key :AIQMFFCWDAIGNV-UHFFFAOYSA-N
Pubchem ID :10904158

Safety of [ 161798-03-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Computational Chemistry of [ 161798-03-4 ] Show Less

Physicochemical Properties

Num. heavy atoms 24
Num. arom. heavy atoms 11
Fraction Csp3 0.39
Num. rotatable bonds 8
Num. H-bond acceptors 5.0
Num. H-bond donors 0.0
Molar Refractivity 94.9
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

93.73 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

3.94
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

4.33
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

4.14
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

1.94
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

5.62
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

4.0

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-4.53
Solubility 0.0102 mg/ml ; 0.0000293 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-6.01
Solubility 0.000337 mg/ml ; 0.000000971 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Poorly soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-5.56
Solubility 0.000959 mg/ml ; 0.00000276 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

No
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

Yes
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

Yes
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

Yes
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-5.35 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

0.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

1.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<2.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

3.48

Application In Synthesis of [ 161798-03-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 161798-03-4 ]

[ 161798-03-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 78-77-3 ]
  • [ 161798-01-2 ]
  • [ 161798-03-4 ]
YieldReaction ConditionsOperation in experiment
94.7% With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 75 - 85℃; for 6h; In a 500 ml round bottom flask, 129 g of DMF, 17 g (0.058 mol) of ethyl 2-(3-aldehyde-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate, 32.24 g (0.233) were added. Potassium carbonate and 0.2 g of potassium iodide.An additional 20 g (0.146) of isobutyl bromide (FBT-SM2) was added.After the addition, the temperature was raised to 75-85 C for 6 h.After the reaction is completed, the temperature is lowered to 20 to 30 C.136 g of purified water was added to the reaction vessel and incubated at 20 to 30 C for 1 h.After the heat preservation, filtration, the filter cake was beaten with purified water, and the pH of the beater was 10, filtered and dried to obtain 21.5 g of 2-(3-formyl-4-isobutoxy-phenyl)-4-methyl-thiazole. Crude product of -5-ethyl formate (FBT-1).In a 500 ml round bottom flask, 67 g of ethanol, 102 g of formic acid and 21.5 g of ethyl 2-(3-formyl-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylate (FBT-) were added. 1) The crude product is stirred and heated to 60-70 C, and after cooling, the temperature is lowered to 15-30 C for 1 h, the crystallization is completed, filtered and dried to obtain 19.2 g of 2-(3-formyl-4-isobutoxy) -Phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester (FBT-1), refined 89.3%, total yield 94.7%, intermediate content 98.40%, maximum single impurity less than 0.10%.
90% With potassium carbonate; In N,N-dimethyl-formamide; at 80℃; for 8h; 250 ml of N,N-dimethylformamide was added to the reaction flask. Add 50g in sequence with stirring Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-thiazole-5-carboxylate, 58.78 g of bromoisobutane, Then add 71.16g of anhydrous potassium carbonate, and the feeding is completed. Heat to 80 C for about 8 h. Yellow turbid. TLC detects the reaction completely and drops to room temperature. Continue to drop to 0 C, add ice water to quench, violent exotherm, Slowly add ice water, the reaction solution becomes viscous, and stirring is continued for 30 minutes. After suction filtration, the vessel was washed with an appropriate amount of water and dried to obtain a solid 56.7 g. The yield is 95.1%, and the purity is 98.2%. The product obtained is further purified: a mixture of EA and PE is arranged, The obtained product and the mixed solution were mixed and beaten for 1 hour. Then filter and dry, wherein the EA:PE volume ratio is 2:1, Solid: total liquid volume = 1g: 6ml, The purity of the product obtained after purification was 99%, and the yield was about 90%.
83% With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 70℃; for 4h;Product distribution / selectivity; Example 6 - Preparation of Compound of formula III)[0094] A compound of formula II (10.0 gr, 34.33 mmol) was reacted with iso- butyl bromide (18.9 gr, 137.3 mmol) in the presence of potassium carbonate (19.0 gr, 137.3 mmol) and potassium iodide (2.3 gr, 13.7 mmol) in 60 ml dimethylformamide. The reaction was performed at about 70C during 4 hours. The reaction mixture was extracted at 70C using 300 ml ethyl acetate and 600 ml water. The separated aqueous phase was washed twice with 100 ml ethyl acetate. The combined organic phase was washed twice with 100 ml water and then concentrated to dryness. The resulting solid residue was re- crystallized from 70 ml ethyl acetate, filtered and dried under reduced pressure at about 40C to provide a compound of formula III (8.9 gr, yield - 83%). The Compound of formula III purity is 99.1% (by HPLC).
To a stirred solution of ethyl 2-[3-formyl-4-hydroxyphenyl]-4-methylthiazole-5- carboxylate (10 gms) in dimethylformamide (40 ml) added potassium carbonate (9.78 gms) and potassium iodide (2.35 gms). Heated the reaction mixture to 70 - 75C and stirred for 30 minutes. To the above reaction added a solution of l-bromo-2- methylpropane (9.72 gms) in dimethyl formamide (10 ml) and stirred for 5 hours. Cooled the reaction mixture to 25C, quenched with water and stirred for one hour. Filtered the precipitated solid and dried the material to get the title compound. Yield: 9 gms.
With potassium carbonate; N,N-dimethyl-formamide; at 87 - 93℃; for 4h; b) Preparation of Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate [Compound of formula IV1.350.0gm of Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate, [Compound of formula III] 332. Ogm of potassium carbonate and 330.0gm of isobutyl bromide were added to 1.751tr of DMF. Reaction mixture was heated to 90 +/- 3C and stirred for 4 hr. Reaction mixture was cooled to 25C and slowly added 10.50 ltr of water. Slurry of the product formed was stirred for 2.0hr, filtered, washed and dried under vacuum to give 389 gm of titled compound.Analytical Data- · ^NMR (CDC13, 400 MHz) : delta 1.079-1.101 (doublet, 6H); delta 1.366-1.413 (triplet,3H); delta 2.185-2.230 (multiplet, 1H); delta 2.769 (singlet, 3H); delta 3.914-3.935 (doublet, 2H); delta 4.316-4.387 (quartet, 2H); delta 7.045-7.074 (doublet, 1H); delta 8.188-8.225 (doublet of doublet, 1H); delta 8.353-8.361 (doublet, 1H).? Mass (m/e): 348.3
With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 25 - 85℃; for 5.08333h; Example 3:Preparation of 2-(3-formyl-4-isobutoxyphenyI)-4-methyIthiazole-5-carboxylic acid ethyl esterTo a dimethylformamide (1250 ml) was added 2-(3-formyl-4-hydroxyphenyl)-4- methylthiazole-5-carboxylic acid ethyl ester (250 gm) at room temperature for 5 minutes to obtain a solution. To the solution was added potassium carbonate (250 gm) and potassium iodide (62.5 gm), and then added isobutyl bromide (100 gm) slowly for 2 hours. The temperature of the reaction mass was raised to 85C and maintained for 3 hours. The dimethylformamide solvent was distilled off under vacuum at 80C and then cooled to room temperature. The reaction mass was added water (2500 ml) and stirred for 2 hours at room temperature. The separated solid was filtered, washed with cycloheaxne and then dried to obtain 285 gm of 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5- carboxylic acid ethyl ester.
16.43 g With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 80℃; for 4h; Dissolve 14.14g of <strong>[161798-01-2]ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate</strong> (Formula III) in 55 ml dimethylformamide, at ambient temperature. Add 40g of potassium carbonate, along with 15.9 ml isobutyl bromide. Heat the reaction to 75-80 C and stir for 4 hours. Cool to 25-30 C, while 165 ml process water is added. Further cool to 0-5 C and stir for 30 minutes at this temperature. Filter off the precipitated solid and wash the filter cake with 55 ml process water. The wet cake is dried under vacuum at 40 C for 7 hours, to furnish 16.43 g of ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate (Formula lib). of compound of formula Illb
34.2 g With potassium carbonate; In N,N-dimethyl-formamide; at 60 - 115℃; Formylation reaction is complete, no need to separate,Continue the next isobutylation reaction,DMF as the reaction solvent,164g of dimethylformamide was added, dissolved,Then add 14g potassium carbonate,21.7g bromoisobutane was added dropwise, the reaction was warmed,The reaction temperature is controlled at 60-115 C,The reaction time is 3-10 hours, the reaction was completely detected by HPLC,Slowly dropping 76g of water,Cooled to room temperature filtered, centrifuged,Centrifuge the filter cake first with 50g DMF (dimethylformamide) once, high-speed spin-dry;Then washed with 19g of water for the first time,High-speed centrifuge drying, washing with 19g water a second time,High-speed centrifuge drying;Finally, the first wash with 15g methanol,High-speed centrifuge drying, washed with 15g methanol second time,High-speed centrifuge drying;The wet product was dried to give 34.2 g of ethyl 2- (3-aldehyde-4-isobutyloxyphenyl) -4-methylthiazole-5-Chromatographic purity of 99.2%Content of 99.5%, two-step total yield of 68.2%.
With triethylamine; at 75℃; for 15h;Large scale; Add 400 kg of DMAC, 100 kg of 2- (3-formyl-4-hydroxyphenyl) -4-methylthiazole-5-carboxylic acid ethyl ester to the reaction tank,50kg bromoisobutane, 35kg triethylamine,The temperature was raised to 75 C for 15h.Then, 25 kg of hydroxylamine hydrochloride was added at a reduced temperature, and reacted at 75 C for 3 hours.Then 30 kg of acetyl chloride was added dropwise and reacted at 80 C for 7 hours.After the reaction was completed, the temperature was lowered to 20-30 C, water was added, 20 kg of sodium hydroxide was added, and hydrolysis was performed at 45 C for 6 hours.Then add hydrochloric acid dropwise to adjust the pH to 6.0-7.0. Reduce the temperature to 0-5 C, then add water and crystallize for 2h.After centrifugation, a white solid powder was obtained, and the obtained powder was crude febuxostat with a wet weight of 128 kg.

 

Historical Records

Technical Information

• Acyl Group Substitution • Barbier Coupling Reaction • Baylis-Hillman Reaction • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Bouveault-Blanc Reduction • Bucherer-Bergs Reaction • Catalytic Hydrogenation • Clemmensen Reduction • Complex Metal Hydride Reductions • Corey-Chaykovsky Reaction • Corey-Fuchs Reaction • Ester Cleavage • Fischer Indole Synthesis • Friedel-Crafts Reaction • Grignard Reaction • Hantzsch Dihydropyridine Synthesis • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Hydrogenolysis of Benzyl Ether • Julia-Kocienski Olefination • Knoevenagel Condensation • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mukaiyama Aldol Reaction • Nomenclature of Ethers • Nozaki-Hiyama-Kishi Reaction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Preparation of Ethers • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Ethers • Reactions with Organometallic Reagents • Reformatsky Reaction • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Stetter Reaction • Stobbe Condensation • Tebbe Olefination • Ugi Reaction • Vilsmeier-Haack Reaction • Wittig Reaction • Wolff-Kishner Reduction

Categories

Related Functional Groups of
[ 161798-03-4 ]

Aryls

Chemical Structure| 161798-01-2

A313303 [161798-01-2]

Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.96

Chemical Structure| 160844-75-7

A311178 [160844-75-7]

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

Similarity: 0.92

Chemical Structure| 161797-99-5

A164535 [161797-99-5]

Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.92

Chemical Structure| 161798-02-3

A100507 [161798-02-3]

Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.89

Chemical Structure| 33763-20-1

A114528 [33763-20-1]

4-Methyl-2-phenylthiazole-5-carboxylic acid

Similarity: 0.83

Aldehydes

Chemical Structure| 161798-01-2

A313303 [161798-01-2]

Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.96

Chemical Structure| 914348-82-6

A120208 [914348-82-6]

2-(4-Methoxyphenyl)thiazole-5-carbaldehyde

Similarity: 0.76

Chemical Structure| 1011-40-1

A119178 [1011-40-1]

2-Phenylthiazole-5-carbaldehyde

Similarity: 0.64

Chemical Structure| 20949-81-9

A211674 [20949-81-9]

2-Phenylthiazole-4-carbaldehyde

Similarity: 0.61

Chemical Structure| 53174-98-4

A310173 [53174-98-4]

Thieno[2,3-b]pyridine-2-carbaldehyde

Similarity: 0.59

Ethers

Chemical Structure| 160844-75-7

A311178 [160844-75-7]

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

Similarity: 0.92

Chemical Structure| 914348-82-6

A120208 [914348-82-6]

2-(4-Methoxyphenyl)thiazole-5-carbaldehyde

Similarity: 0.76

Chemical Structure| 10205-71-7

A841468 [10205-71-7]

4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylaniline

Similarity: 0.72

Chemical Structure| 57677-80-2

A149640 [57677-80-2]

2-(4-Methoxyphenyl)thiazole-4-carboxylic acid

Similarity: 0.72

Chemical Structure| 101078-51-7

A143554 [101078-51-7]

6-Methoxy-2-(p-tolyl)benzo[d]thiazole

Similarity: 0.69

Esters

Chemical Structure| 161798-01-2

A313303 [161798-01-2]

Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.96

Chemical Structure| 160844-75-7

A311178 [160844-75-7]

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

Similarity: 0.92

Chemical Structure| 161797-99-5

A164535 [161797-99-5]

Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.92

Chemical Structure| 161798-02-3

A100507 [161798-02-3]

Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.89

Chemical Structure| 172678-67-0

A103712 [172678-67-0]

Ethyl 2-phenylthiazole-5-carboxylate

Similarity: 0.77

Related Parent Nucleus of
[ 161798-03-4 ]

Thiazoles

Chemical Structure| 161798-01-2

A313303 [161798-01-2]

Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.96

Chemical Structure| 160844-75-7

A311178 [160844-75-7]

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

Similarity: 0.92

Chemical Structure| 161797-99-5

A164535 [161797-99-5]

Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.92

Chemical Structure| 161798-02-3

A100507 [161798-02-3]

Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Similarity: 0.89

Chemical Structure| 33763-20-1

A114528 [33763-20-1]

4-Methyl-2-phenylthiazole-5-carboxylic acid

Similarity: 0.83