chempirical

2-(Trifluoromethyl)thiazole-5-carboxylic acid

C5H2F3NO2SCAS 1286734-84-6197.13 g/mol

Open in Covalent MOL file
SNFFFOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C5H2F3NO2S
Molar mass
197.13 g/mol
Exact mass
196.9758 Da
logP
1.86Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
1286734-84-6
SMILES
C1=C(SC(=N1)C(F)(F)F)C(=O)O
InChIKey
POPWMBOAMPURLZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H2F3NO2S/c6-5(7,8)4-9-1-2(12-4)3(10)11/h1H,(H,10,11)

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Names and synonyms

1 names
  • 2-(Trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Work with 2-(Trifluoromethyl)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

2-Methyl-5-thiazolecarboxylic acid40004-69-153 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-452 % similar 5-(Trifluoromethyl)nicotinic acid131747-40-545 % similar 6-Trifluoromethylnicotinic acid231291-22-845 % similar 5-(Trifluoromethyl)pyridine-2-carboxylic acid80194-69-045 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-343 % similar 2,5-Thiophenedicarboxylic acid4282-31-942 % similar 5-Thiazolecarboxylic acid14527-41-441 % similar

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

Elsewhere

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