5-(3,3-diphenylpiperidine-1-carbonyl)-N,4-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 767944
• Molecular Formular: C23H25N3OS
• Molecular Mass: 391.5291
• Monoisotopic Mass: 391.17183344
• SMILES: c1(C(=O)N2CC(c3ccccc3)(c3ccccc3)CCC2)c(nc(s1)NC)C
• Canonical SMILES: CNc1nc(c(s1)C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C23H25N3OS/c1-17-20(28-22(24-2)25-17)21(27)26-15-9-14-23(16-26,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13H,9,14-16H2,1-2H3,(H,24,25)
• InChIKey: LPUCVRBWVPERBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,3-diphenylpiperidine-1-carbonyl)-N,4-dimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-(3,3-diphenylpiperidine-1-carbonyl)-N,4-dimethyl-1,3-thiazol-2-amine
• Synonyms: 5-[(3,3-diphenylpiperidin-1-yl)carbonyl]-N,4-dimethyl-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.840637
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.211627
• LogD (pH = 7.4): 4.211814
• Log P: 4.2118163
• Molar Refractivity: 125.877 cm^3
• Polarizability: 43.34685 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: 3.29
• LOG S: -6.16
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4