Ethyl 2-amino-5-phenylthiophene-3-carboxylate

C₁₃H₁₃NO₂SCAS 4815-34-3247.31 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₃H₁₃NO₂S
Molar mass: 247.31 g/mol
Exact mass: 247.0667 Da
Melting point: 123–124 °C
logP: 3.17Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

4815-34-3

SMILES

CCOC(=O)c1cc(-c2ccccc2)sc1N

InChIKey

WIVNPGXPJBBZQH-UHFFFAOYSA-N

InChI

InChI=1S/C13H13NO2S/c1-2-16-13(15)10-8-11(17-12(10)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3

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Names and synonyms

2 names

3-Thiophenecarboxylic acid, 2-amino-5-phenyl-, ethyl ester
2-Amino-5-phenyl-3-thiophenecarboxylic acid ethyl ester

Work with Ethyl 2-amino-5-phenylthiophene-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-5-methylthiophene-3-carboxylate4815-32-161 % similar 2-Amino-3-carboethoxy-5-methyl-4-phenylthiophene4815-37-656 % similar Diethyl phthalate84-66-253 % similar Ethyl 2-aminobenzoate87-25-252 % similar Ethyl o-chlorobenzoate7335-25-349 % similar Ethyl benzoate93-89-048 % similar Ethyl 2-bromobenzoate6091-64-147 % similar Ethyl 2-methylbenzoate87-24-147 % similar

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

Same formula

2-Amino-3-(ethoxycarbonyl)-4-phenylthiophene4815-36-5

Elsewhere

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