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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-(1,1-Dimethoxyethyl)thiazole-5-carboxylic acid2168221-63-263 % similar 2-Methyl-5-thiazolecarboxylic acid40004-69-153 % similar 2-Bromo-5-thiazolecarboxylic acid54045-76-053 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-452 % similar 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid306960-77-049 % similar 5-(Trifluoromethyl)nicotinic acid131747-40-545 % similar 6-Trifluoromethylnicotinic acid231291-22-845 % similar 5-(Trifluoromethyl)pyridine-2-carboxylic acid80194-69-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethyl)thiazole-2-carboxylic acid944900-55-4

Elsewhere

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