N-phenyl-1-[2-(thiophen-2-yl)-1,3-thiazole-4-carbonyl]piperidin-3-amine

• ChemBase ID: 341991
• Molecular Formular: C19H19N3OS2
• Molecular Mass: 369.50366
• Monoisotopic Mass: 369.09695424
• SMILES: c1(nc(sc1)c1sccc1)C(=O)N1CC(Nc2ccccc2)CCC1
• Canonical SMILES: O=C(c1csc(n1)c1cccs1)N1CCCC(C1)Nc1ccccc1
• InChI: InChI=1S/C19H19N3OS2/c23-19(16-13-25-18(21-16)17-9-5-11-24-17)22-10-4-8-15(12-22)20-14-6-2-1-3-7-14/h1-3,5-7,9,11,13,15,20H,4,8,10,12H2
• InChIKey: GBCKUNIUYMZUAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-1-[2-(thiophen-2-yl)-1,3-thiazole-4-carbonyl]piperidin-3-amine
• IUPAC Traditional name: N-phenyl-1-[2-(thiophen-2-yl)-1,3-thiazole-4-carbonyl]piperidin-3-amine
• Synonyms: N-phenyl-1-{[2-(2-thienyl)-1,3-thiazol-4-yl]carbonyl}-3-piperidinamine

CALCULATED PROPERTIES

JChem

• Log P: 3.8578632
• Molar Refractivity: 113.2517 cm^3
• Polarizability: 39.11973 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8086948
• LogD (pH = 7.4): 3.857208

供应商提供(Chembridge)

• Log P: 3.72
• LOG S: -4.67
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 1