2-(5-Methyl-2-phenylthiazole-4-yl)acetic acid

C₁₂H₁₁NO₂SCAS 101736-22-5233.28 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₂H₁₁NO₂S
Molar mass: 233.28 g/mol
Exact mass: 233.0510 Da
logP: 2.75Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

101736-22-5

SMILES

CC1=C(N=C(S1)C2=CC=CC=C2)CC(=O)O

InChIKey

SZYXURFSAUXFNT-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO2S/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)

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Names and synonyms

1 names

(5-Methyl-2-phenyl-1,3-thiazol-4-yl)acetic acid

Work with 2-(5-Methyl-2-phenylthiazole-4-yl)acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Phenyl-5-methyloxazole-4-acetic acid107367-98-653 % similar Felbinac5728-52-945 % similar Phenylacetic acid103-82-243 % similar (2-Methylphenyl)acetic acid644-36-041 % similar 3-Methylbenzo[B]thiophene-2-acetic acid1505-52-841 % similar 1,2-Benzenediacetic acid7500-53-040 % similar 1,2-Benzisoxazole-3-acetic acid4865-84-340 % similar (3-Methylphenyl)acetic acid621-36-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-7 N-Phenylbenzenesulfonamide1678-25-7 2-(Phenylsulfonyl)aniline4273-98-7

Elsewhere

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