N-{1-[4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}pyridin-2-amine

• ChemBase ID: 834585
• Molecular Formular: C18H24N4OS
• Molecular Mass: 344.47436
• Monoisotopic Mass: 344.16708241
• SMILES: c1(sc(nc1C)C(C)C)C(=O)N1CCC(Nc2ncccc2)CC1
• Canonical SMILES: O=C(c1sc(nc1C)C(C)C)N1CCC(CC1)Nc1ccccn1
• InChI: InChI=1S/C18H24N4OS/c1-12(2)17-20-13(3)16(24-17)18(23)22-10-7-14(8-11-22)21-15-6-4-5-9-19-15/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,19,21)
• InChIKey: IZKBEAFPAVXQLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}pyridin-2-amine
• IUPAC Traditional name: N-[1-(2-isopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyridin-2-amine
• Synonyms: N-{1-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-4-piperidinyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2310529
• LogD (pH = 7.4): 2.157399
• Log P: 2.2198732
• Molar Refractivity: 98.0273 cm^3
• Polarizability: 36.483322 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.78
• LOG S: -3.23
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4