chempirical

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

C7H7F3N2O2SCAS 344-72-9240.20 g/mol

Open in Covalent MOL file
OOSNHNHFFF
Alkyl halideEster

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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

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)

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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-amino-4-thiazolecarboxylate5398-36-749 % similar 2-Amino-6-carbethoxybenzothiazole50850-93-647 % 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 Ethyl 2-amino-4-thiazoleacetate53266-94-741 % similar Ethyl o-(trifluoromethyl)benzoate577-62-841 % similar

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

Elsewhere

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