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

• ChemBase ID: 663349
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: c1(C(=O)N2CC(Nc3ccc(cc3)C(C)C)CCC2)c(ncs1)C
• Canonical SMILES: CC(c1ccc(cc1)NC1CCCN(C1)C(=O)c1scnc1C)C
• InChI: InChI=1S/C19H25N3OS/c1-13(2)15-6-8-16(9-7-15)21-17-5-4-10-22(11-17)19(23)18-14(3)20-12-24-18/h6-9,12-13,17,21H,4-5,10-11H2,1-3H3
• InChIKey: FFQRYCRKKGDSBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methyl-1,3-thiazole-5-carbonyl)-N-[4-(propan-2-yl)phenyl]piperidin-3-amine
• IUPAC Traditional name: N-(4-isopropylphenyl)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-amine
• Synonyms: N-(4-isopropylphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.078418
• LogD (pH = 7.4): 3.1774912
• Log P: 3.1789134
• Molar Refractivity: 100.1986 cm^3
• Polarizability: 37.37142 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.66
• LOG S: -5.22
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3