Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate

C₁₃H₁₂FNO₂SCAS 35978-33-7265.30 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₁₃H₁₂FNO₂S
Molar mass: 265.30 g/mol
Exact mass: 265.0573 Da
logP: 3.31Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

35978-33-7

SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)N

InChIKey

CJMZLCRLBNZJQR-UHFFFAOYSA-N

InChI

InChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3

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Work with Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-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-phenylthiophene-3-carboxylate4815-36-575 % similar 2-Amino-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester306934-99-674 % similar Ethyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate65234-09-574 % similar Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate15854-11-272 % similar Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-257 % similar Ethyl 4-fluorobenzoate451-46-752 % similar Ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate138907-68-346 % similar Ethyl 2-aminothiophene-3-carboxylate31891-06-246 % similar

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

Elsewhere

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