{[6-(azocane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)amine

• ChemBase ID: 444030
• Molecular Formular: C23H28N6OS
• Molecular Mass: 436.57302
• Monoisotopic Mass: 436.20453055
• SMILES: c1(nc2n(c1CNCc1nc3n(c1)c(ccc3)C)ccs2)C(=O)N1CCCCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCc1cn3c(n1)cccc3C)ccs2)N1CCCCCCC1
• InChI: InChI=1S/C23H28N6OS/c1-17-8-7-9-20-25-18(16-29(17)20)14-24-15-19-21(26-23-28(19)12-13-31-23)22(30)27-10-5-3-2-4-6-11-27/h7-9,12-13,16,24H,2-6,10-11,14-15H2,1H3
• InChIKey: LJNLZZRVJJSRSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[6-(azocane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)amine
• IUPAC Traditional name: {[6-(azocane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)amine
• Synonyms: 1-[6-(1-azocanylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0798923
• LogD (pH = 7.4): 2.3649182
• Log P: 2.4867568
• Molar Refractivity: 135.6002 cm^3
• Polarizability: 46.503883 Å^3
• Polar Surface Area: 66.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.17
• LOG S: -5.08
• Polar Surface Area: 66.94 Å^2
• Rotatable Bonds: 5