N,N-diethyl-1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidine-3-carboxamide

• ChemBase ID: 617102
• Molecular Formular: C22H33N5O2S
• Molecular Mass: 431.59472
• Monoisotopic Mass: 431.23549632
• SMILES: c1(c(n2c(n1)scc2)CN1CC(C(=O)N(CC)CC)CCC1)C(=O)N1CCCCC1
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)Cc1c(nc2n1ccs2)C(=O)N1CCCCC1)CC
• InChI: InChI=1S/C22H33N5O2S/c1-3-25(4-2)20(28)17-9-8-10-24(15-17)16-18-19(23-22-27(18)13-14-30-22)21(29)26-11-6-5-7-12-26/h13-14,17H,3-12,15-16H2,1-2H3
• InChIKey: OSGISYJBMZYFCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidine-3-carboxamide
• IUPAC Traditional name: N,N-diethyl-1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidine-3-carboxamide
• Synonyms: N,N-diethyl-1-{[6-(1-piperidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.27714846
• LogD (pH = 7.4): 1.3832967
• Log P: 1.771901
• Molar Refractivity: 131.9151 cm^3
• Polarizability: 45.58032 Å^3
• Polar Surface Area: 61.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.11
• LOG S: -2.4
• Polar Surface Area: 61.16 Å^2
• Rotatable Bonds: 4