chempirical

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

C12H8F3NO2SCAS 144059-86-9287.26 g/mol

Open in Covalent MOL file
NFFFSOOH
Alkyl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

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

4 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

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-(pyridin-3-yl)thiazole-5-carboxylic acid39091-01-557 % similar 4-(Trifluoromethyl)benzoic acid455-24-347 % similar 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid117724-63-746 % similar Febuxostat144060-53-745 % similar Gw 501516317318-70-045 % similar 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-645 % similar 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-543 % similar Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161797-99-543 % similar

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

Elsewhere

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