N-(5-{3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl}-1,3-thiazol-2-yl)acetamide

• ChemBase ID: 468007
• Molecular Formular: C20H26N4O2S
• Molecular Mass: 386.51104
• Monoisotopic Mass: 386.17764709
• SMILES: c1(C(=O)N2CC(N(CCc3ccccc3)C)CCC2)sc(nc1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ncc(s1)C(=O)N1CCCC(C1)N(CCc1ccccc1)C
• InChI: InChI=1S/C20H26N4O2S/c1-15(25)22-20-21-13-18(27-20)19(26)24-11-6-9-17(14-24)23(2)12-10-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H,21,22,25)
• InChIKey: SXYQNOWMNYSISL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-{3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl}-1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: N-(5-{3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl}-1,3-thiazol-2-yl)acetamide
• Synonyms: N-[5-({3-[methyl(2-phenylethyl)amino]-1-piperidinyl}carbonyl)-1,3-thiazol-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.711433
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.70661974
• LogD (pH = 7.4): 0.89788806
• Log P: 2.3683412
• Molar Refractivity: 108.8565 cm^3
• Polarizability: 40.908474 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.26
• LOG S: -3.09
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6