5-(3-Fluorophenyl)-3-ureidothiophene-2-carboxylic acid N-[(S)-piperidin-3-yl]amide

C₁₇H₁₉FN₄O₂SCAS 860352-01-8362.42 g/mol

Open in Covalent MOL file

Amide Aryl halide Secondary amine

Properties

Molecular formula: C₁₇H₁₉FN₄O₂S
Molar mass: 362.42 g/mol
Exact mass: 362.1213 Da
logP: 2.94Crippen estimate
Polar surface area: 97.2 Å²
H-bond donors / acceptors: 5 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

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

860352-01-8

SMILES

N=C(O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1

InChIKey

IAYGCINLNONXHY-LBPRGKRZSA-N

InChI

InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1

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Names and synonyms

3 names

2-Thiophenecarboxamide, 3-[(aminocarbonyl)amino]-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-
3-[(Aminocarbonyl)amino]-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-2-thiophenecarboxamide
AZD 7762

Work with 5-(3-Fluorophenyl)-3-ureidothiophene-2-carboxylic acid N-[(S)-piperidin-3-yl]amide

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

3-Cbz-aminopiperidine hcl31648-54-132 % similar 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-330 % similar

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

Elsewhere

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