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

• ChemBase ID: 572092
• Molecular Formular: C22H23N3OS
• Molecular Mass: 377.50252
• Monoisotopic Mass: 377.15618337
• SMILES: c1(C(=O)N2CC(c3ccccc3)(c3ccccc3)CCC2)c(nc(s1)N)C
• Canonical SMILES: Nc1nc(c(s1)C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C22H23N3OS/c1-16-19(27-21(23)24-16)20(26)25-14-8-13-22(15-25,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12H,8,13-15H2,1H3,(H2,23,24)
• InChIKey: CLFQUGXLZSNQIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.824456
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9077702
• LogD (pH = 7.4): 3.9100828
• Log P: 3.9101124
• Molar Refractivity: 120.3836 cm^3
• Polarizability: 41.50448 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.09
• LOG S: -5.59
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 3