4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid

C₁₂H₈F₃NO₂SCAS 144059-86-9287.26 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₂H₈F₃NO₂S
Molar mass: 287.26 g/mol
Exact mass: 287.0228 Da
logP: 3.84Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

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 3 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

144059-86-9

SMILES

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O

InChIKey

DRFFZMPSUPHSJN-UHFFFAOYSA-N

InChI

InChI=1S/C12H8F3NO2S/c1-6-9(11(17)18)19-10(16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)

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Names and synonyms

5 names

5-Thiazolecarboxylic acid, 4-methyl-2-[4-(trifluoromethyl)phenyl]-
4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
4-Methyl-2-(4-trifluoromethylphenyl)thiazole-5-carboxylic acid
2-(4-(Trifluoromethyl)phenyl)-4-methylthiazole-5-carboxylic acid
4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acid

Work with 4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic 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-phenyl-thiazole-5-carboxylic acid33763-20-167 % similar 4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester175277-03-963 % similar 4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid39091-01-557 % similar 4'-Trifluoromethylbiphenyl-4-carboxylic acid195457-71-750 % similar 2-Methyl-6-(trifluoromethyl)nicotinic acid261635-93-248 % similar Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-248 % similar 4-(Trifluoromethyl)benzoic acid455-24-347 % similar 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid117724-63-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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