chempirical

Ethyl 2-(2,4-difluorophenyl)-4-thiazolecarboxylate

C12H9F2NO2SCAS 175276-93-4269.27 g/mol

Open in Covalent MOL file
OOSFFN
Aryl halideEster

Properties

Molecular formula
C12H9F2NO2S
Molar mass
269.27 g/mol
Exact mass
269.0322 Da
logP
3.27Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
175276-93-4
SMILES
CCOC(=O)c1csc(-c2ccc(F)cc2F)n1
InChIKey
QZWCWKKYIGCUOG-UHFFFAOYSA-N
InChI
InChI=1S/C12H9F2NO2S/c1-2-17-12(16)10-6-18-11(15-10)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3

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Names and synonyms

2 names
  • 4-Thiazolecarboxylic acid, 2-(2,4-difluorophenyl)-, ethyl ester
  • 2-(2,4-Difluorophenyl)thiazole-4-carboxylic acid ethyl ester

Work with Ethyl 2-(2,4-difluorophenyl)-4-thiazolecarboxylate

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 2,4-difluorobenzoate108928-00-360 % similar Ethyl 2-bromothiazole-4-carboxylate100367-77-948 % similar Ethyl 3-fluorobenzoate451-02-546 % similar Ethyl 4-fluorobenzoate451-46-746 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-344 % similar Ethyl 3,4-difluorobenzoate144267-96-943 % similar Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate100491-29-043 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-743 % similar

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

Elsewhere

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