4-methyl-2-(propan-2-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

• ChemBase ID: 518244
• Molecular Formular: C19H26N4OS
• Molecular Mass: 358.50094
• Monoisotopic Mass: 358.18273247
• SMILES: c1(sc(nc1C)C(C)C)C(=O)NC1CCN(Cc2ncccc2)CC1
• Canonical SMILES: O=C(c1sc(nc1C)C(C)C)NC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C19H26N4OS/c1-13(2)19-21-14(3)17(25-19)18(24)22-15-7-10-23(11-8-15)12-16-6-4-5-9-20-16/h4-6,9,13,15H,7-8,10-12H2,1-3H3,(H,22,24)
• InChIKey: QGPMZCJJEFGOKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(propan-2-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: 2-isopropyl-4-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
• Synonyms: 2-isopropyl-4-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.985642
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.34035593
• LogD (pH = 7.4): 1.7731631
• Log P: 1.9518301
• Molar Refractivity: 100.6438 cm^3
• Polarizability: 38.698788 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: 4
• H Donor: 1
• Log P: 1.14
• LOG S: -1.49
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 5