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

C12H11NO2SCAS 101736-22-5233.28 g/mol

Open in Covalent MOL file
NSOHO
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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-thiazol-4-yl)-acetic acid16441-28-457 % similar 2-Phenyl-5-methyloxazole-4-acetic acid107367-98-653 % similar 4-Methyl-2-phenyl-thiazole-5-carboxylic acid33763-20-147 % 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

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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