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

• ChemBase ID: 481366
• Molecular Formular: C24H30N4O2S
• Molecular Mass: 438.5856
• Monoisotopic Mass: 438.20894722
• SMILES: c1(c(n2c(n1)scc2)CN1CC(OCc2ccccc2)CCC1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCCC(C1)OCc1ccccc1)ccs2)N1CCCCC1
• InChI: InChI=1S/C24H30N4O2S/c29-23(27-12-5-2-6-13-27)22-21(28-14-15-31-24(28)25-22)17-26-11-7-10-20(16-26)30-18-19-8-3-1-4-9-19/h1,3-4,8-9,14-15,20H,2,5-7,10-13,16-18H2
• InChIKey: DOAKDXDAZRZUGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidine
• IUPAC Traditional name: 3-(benzyloxy)-1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidine
• Synonyms: 5-{[3-(benzyloxy)-1-piperidinyl]methyl}-6-(1-piperidinylcarbonyl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7319742
• LogD (pH = 7.4): 3.1574218
• Log P: 3.3319197
• Molar Refractivity: 135.4417 cm^3
• Polarizability: 47.26418 Å^3
• Polar Surface Area: 50.08 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: 3.33
• LOG S: -4.42
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6