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

• ChemBase ID: 577224
• Molecular Formular: C17H22N4OS
• Molecular Mass: 330.44778
• Monoisotopic Mass: 330.15143234
• SMILES: c1(nc(sc1)CCC)C(=O)N1CCC(Nc2ncccc2)CC1
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCC(CC1)Nc1ccccn1
• InChI: InChI=1S/C17H22N4OS/c1-2-5-16-20-14(12-23-16)17(22)21-10-7-13(8-11-21)19-15-6-3-4-9-18-15/h3-4,6,9,12-13H,2,5,7-8,10-11H2,1H3,(H,18,19)
• InChIKey: PVGPCFIMFHZELW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-propyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyridin-2-amine
• IUPAC Traditional name: N-[1-(2-propyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyridin-2-amine
• Synonyms: N-{1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-4-piperidinyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.254729
• LogD (pH = 7.4): 2.181023
• Log P: 2.2434962
• Molar Refractivity: 93.3062 cm^3
• Polarizability: 34.72418 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.51
• LOG S: -2.9
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 5