N-benzyl-N-methyl-1-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}piperidin-3-amine

• ChemBase ID: 569796
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: c1(n2c(nc1C)scc2)C(=O)N1CC(N(Cc2ccccc2)C)CCC1
• Canonical SMILES: CN(C1CCCN(C1)C(=O)c1c(C)nc2n1ccs2)Cc1ccccc1
• InChI: InChI=1S/C20H24N4OS/c1-15-18(24-11-12-26-20(24)21-15)19(25)23-10-6-9-17(14-23)22(2)13-16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13-14H2,1-2H3
• InChIKey: UTEZMBMQSNDGCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-1-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}piperidin-3-amine
• IUPAC Traditional name: N-benzyl-N-methyl-1-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}piperidin-3-amine
• Synonyms: N-benzyl-N-methyl-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7038841
• LogD (pH = 7.4): 0.98923963
• Log P: 2.3512967
• Molar Refractivity: 116.6961 cm^3
• Polarizability: 39.85768 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.22
• LOG S: -3.06
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4