2-[1-benzyl-4-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperazin-2-yl]ethan-1-ol

• ChemBase ID: 402815
• Molecular Formular: C20H26N4OS
• Molecular Mass: 370.51164
• Monoisotopic Mass: 370.18273247
• SMILES: c12n(c(c(n1)C)CN1CC(N(Cc3ccccc3)CC1)CCO)ccs2
• Canonical SMILES: OCCC1CN(CCN1Cc1ccccc1)Cc1c(C)nc2n1ccs2
• InChI: InChI=1S/C20H26N4OS/c1-16-19(24-10-12-26-20(24)21-16)15-22-8-9-23(18(14-22)7-11-25)13-17-5-3-2-4-6-17/h2-6,10,12,18,25H,7-9,11,13-15H2,1H3
• InChIKey: QYNBWCXZZJHPJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-benzyl-4-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperazin-2-yl]ethan-1-ol
• IUPAC Traditional name: 2-[1-benzyl-4-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperazin-2-yl]ethanol
• Synonyms: 2-{1-benzyl-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-piperazinyl}ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.921743
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8457985
• LogD (pH = 7.4): 0.93791574
• Log P: 1.7872363
• Molar Refractivity: 118.0147 cm^3
• Polarizability: 40.99864 Å^3
• Polar Surface Area: 44.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.05
• LOG S: -2.2
• Polar Surface Area: 44.01 Å^2
• Rotatable Bonds: 6