N-[(1-benzylpiperidin-4-yl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 572899
• Molecular Formular: C18H25N3S
• Molecular Mass: 315.4762
• Monoisotopic Mass: 315.17691882
• SMILES: c1(nc(cs1)C)N(CC1CCN(Cc2ccccc2)CC1)C
• Canonical SMILES: Cc1csc(n1)N(CC1CCN(CC1)Cc1ccccc1)C
• InChI: InChI=1S/C18H25N3S/c1-15-14-22-18(19-15)20(2)12-17-8-10-21(11-9-17)13-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3
• InChIKey: KTGKBOPOIHDBHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpiperidin-4-yl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: N-[(1-benzylpiperidin-4-yl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
• Synonyms: N-[(1-benzylpiperidin-4-yl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.505798
• LogD (pH = 7.4): 2.0352874
• Log P: 3.7675827
• Molar Refractivity: 94.6415 cm^3
• Polarizability: 36.117546 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.3
• LOG S: -4.9
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5