Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate

C₇H₇F₃N₂O₂SCAS 344-72-9240.20 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₇H₇F₃N₂O₂S
Molar mass: 240.20 g/mol
Exact mass: 240.0180 Da
Melting point: 168–171 °C
logP: 1.75Crippen estimate
Polar surface area: 65.9 Å²
H-bond donors / acceptors: 2 / 4
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 the 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

344-72-9

SMILES

CCOC(=O)c1sc(=N)[nH]c1C(F)(F)F

InChIKey

XJRPTMORGOIMMI-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)

Weigh it out

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

Names and synonyms

4 names

5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
NSC 4465
2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole
2-Amino-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester

Work with Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate

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

Ethyl 2-aminothiazole-4-carboxylate5398-36-749 % similar 2-Amino-6-carbethoxybenzothiazole50850-93-647 % similar Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate155377-19-847 % similar Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate154934-97-146 % similar 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-946 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-444 % similar Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate149771-09-543 % similar Ethyl 4-trifluoromethylbenzoate583-02-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook