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

• ChemBase ID: 353121
• Molecular Formular: C24H30N4O2S
• Molecular Mass: 438.5856
• Monoisotopic Mass: 438.20894722
• SMILES: c1(c(n2c(n1)scc2)CN1CCC(CC1)OCc1ccccc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCC(CC1)OCc1ccccc1)ccs2)N1CCCCC1
• InChI: InChI=1S/C24H30N4O2S/c29-23(27-11-5-2-6-12-27)22-21(28-15-16-31-24(28)25-22)17-26-13-9-20(10-14-26)30-18-19-7-3-1-4-8-19/h1,3-4,7-8,15-16,20H,2,5-6,9-14,17-18H2
• InChIKey: TWUGCMBPVZTLAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidine
• Synonyms: 5-{[4-(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): 1.1612641
• LogD (pH = 7.4): 2.6575224
• Log P: 2.8745167
• Molar Refractivity: 135.6625 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: 2.58
• LOG S: -4.06
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6