Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate

C₁₂H₁₀FNO₂SCAS 175137-08-3251.28 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₁₂H₁₀FNO₂S
Molar mass: 251.28 g/mol
Exact mass: 251.0416 Da
logP: 2.92Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

175137-08-3

SMILES

COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)N

InChIKey

YIBRKYVKVWTHEM-UHFFFAOYSA-N

InChI

InChI=1S/C12H10FNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3

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Work with Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-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

Methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-774 % similar Methyl 2-amino-4-fluorobenzoate2475-81-258 % similar Methyl 2-amino-5-fluorobenzoate319-24-453 % similar Methyl 3-amino-5-tert-butylthiophene-2-carboxylate175137-03-851 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-448 % similar Methyl 4-fluorobenzoate403-33-848 % similar 2-Acetyl-3-amino-5-phenylthiophene105707-24-246 % similar 1-[3-Amino-5-[4-(1,1-dimethylethyl)phenyl]-2-thienyl]ethanone306935-12-645 % similar

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

Elsewhere

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