(2-Phenyl-thiazol-4-yl)-acetic acid

C11H9NO2SCAS 16441-28-4219.26 g/mol

Open in Covalent MOL file
NSOOH
Carboxylic acid

Properties

Molecular formula
C11H9NO2S
Molar mass
219.26 g/mol
Exact mass
219.0354 Da
logP
2.44Crippen 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
16441-28-4
SMILES
C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)O
InChIKey
LYHDWKGJPJRCTG-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)

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Names and synonyms

1 names
  • 2-(2-Phenyl-1,3-thiazol-4-yl)acetic acid

Work with (2-Phenyl-thiazol-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-(5-Methyl-2-phenylthiazole-4-yl)acetic acid101736-22-557 % similar 2-Phenyl-4-carboxythiazole7113-10-254 % similar 2-(2-Aminothiazol-4-yl) acetic acid hydrochloride66659-20-951 % similar 2-(Formylamino)-4-thiazoleacetic acid75890-68-549 % similar Felbinac5728-52-949 % similar Phenylacetic acid103-82-246 % similar 2-Pyridylacetic acid hydrochloride16179-97-844 % similar 2-Phenyl-5-methyloxazole-4-acetic acid107367-98-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-2-phenyl-thiazole-5-carboxylic acid33763-20-1

Elsewhere

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