4-(Trifluoromethyl)thiazole-2-carboxylic acid

C₅H₂F₃NO₂SCAS 944900-55-4197.13 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

944900-55-4

SMILES

C1=C(N=C(S1)C(=O)O)C(F)(F)F

InChIKey

UJIAFLBUSAICKJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H2F3NO2S/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1H,(H,10,11)

Weigh it out

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

Work with 4-(Trifluoromethyl)thiazole-2-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-thiazolecarboxylic acid14542-16-653 % similar 4-Bromo-1,3-thiazole-2-carboxylic acid88982-82-553 % similar 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-753 % similar 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-550 % similar 2-Methyl-6-(trifluoromethyl)nicotinic acid261635-93-249 % similar 2-Chloro-6-trifluoromethylnicotinic acid280566-45-249 % similar 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-145 % similar 6-Trifluoromethylnicotinic acid231291-22-845 % similar

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

Same formula

2-(Trifluoromethyl)thiazole-5-carboxylic acid1286734-84-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook