5-[(4-benzylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 479488
• Molecular Formular: C18H25N3S
• Molecular Mass: 315.4762
• Monoisotopic Mass: 315.17691882
• SMILES: c1(ncc(s1)CN1CCC(Cc2ccccc2)CC1)N(C)C
• Canonical SMILES: CN(c1ncc(s1)CN1CCC(CC1)Cc1ccccc1)C
• InChI: InChI=1S/C18H25N3S/c1-20(2)18-19-13-17(22-18)14-21-10-8-16(9-11-21)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12,14H2,1-2H3
• InChIKey: VYCMDWNNWRLSBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(4-benzylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-[(4-benzylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
• Synonyms: 5-[(4-benzyl-1-piperidinyl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.353169
• LogD (pH = 7.4): 3.1073163
• Log P: 4.2139263
• Molar Refractivity: 94.8817 cm^3
• Polarizability: 36.127815 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: 4.21
• LOG S: -4.06
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 4