{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 665992
• Molecular Formular: C21H24N6OS
• Molecular Mass: 408.51986
• Monoisotopic Mass: 408.17323042
• SMILES: c1(nc2n(c1CNCc1nc3n(c1)ccs3)cccc2C)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCc1cn3c(n1)scc3)cccc2C)N1CCCCC1
• InChI: InChI=1S/C21H24N6OS/c1-15-6-5-9-27-17(13-22-12-16-14-26-10-11-29-21(26)23-16)18(24-19(15)27)20(28)25-7-3-2-4-8-25/h5-6,9-11,14,22H,2-4,7-8,12-13H2,1H3
• InChIKey: HOKFZJPWEQEBGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[2,1-b][1,3]thiazol-6-ylmethyl}({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: {imidazo[2,1-b][1,3]thiazol-6-ylmethyl}({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: (imidazo[2,1-b][1,3]thiazol-6-ylmethyl){[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.47009614
• LogD (pH = 7.4): 1.7845056
• Log P: 1.9114796
• Molar Refractivity: 126.2897 cm^3
• Polarizability: 42.826733 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: 1.06
• LOG S: -4.82
• Polar Surface Area: 66.94 Å^2
• Rotatable Bonds: 5