4-Methyl-2-phenyl-thiazole-5-carboxylic acid

C₁₁H₉NO₂SCAS 33763-20-1219.26 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₁H₉NO₂S
Molar mass: 219.26 g/mol
Exact mass: 219.0354 Da
logP: 2.82Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

33763-20-1

SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)O

InChIKey

CRSMRBYEBHOYRM-UHFFFAOYSA-N

InChI

InChI=1S/C11H9NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-Methyl-2-phenyl-1,3-thiazole-5-carboxylic acid

Work with 4-Methyl-2-phenyl-thiazole-5-carboxylic 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

4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid39091-01-573 % similar 4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid144059-86-967 % similar Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate53715-64-358 % similar Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-255 % similar 2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-653 % similar Febuxostat144060-53-750 % similar 2-Phenyl-4-carboxythiazole7113-10-250 % similar 2-(5-Methyl-2-phenylthiazole-4-yl)acetic acid101736-22-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Phenyl-thiazol-4-yl)-acetic acid16441-28-4

Elsewhere

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