Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate

C₇H₆F₃NO₂SCAS 131748-96-4225.19 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₇H₆F₃NO₂S
Molar mass: 225.19 g/mol
Exact mass: 225.0071 Da
logP: 2.34Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

131748-96-4

SMILES

CCOC(=O)C1=CN=C(S1)C(F)(F)F

InChIKey

KQTWGECEHUVSPX-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO2S/c1-2-13-5(12)4-3-11-6(14-4)7(8,9)10/h3H,2H2,1H3

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Names and synonyms

1 names

Ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate

Work with Ethyl 2-(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

2-(Trifluoromethyl)thiazole-5-carboxylic acid1286734-84-652 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-052 % similar Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate128073-16-548 % similar Ethyl 4-trifluoromethylbenzoate583-02-848 % similar Ethyl 3-(trifluoromethyl)benzoate76783-59-047 % similar Ethyl o-(trifluoromethyl)benzoate577-62-846 % similar Ethyl 2-thiophenecarboxylate2810-04-044 % similar 1-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid ethyl ester111493-74-444 % similar

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

Same formula

2-(Trifluoromethyl)benzenesulfonamide1869-24-5 3-[(Trifluoromethyl)sulfonyl]benzenamine426-59-5 4-(Trifluoromethyl)benzenesulfonamide830-43-3

Elsewhere

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