3-{imidazo[1,2-a]pyridin-2-yl}-N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}propanamide

• ChemBase ID: 617416
• Molecular Formular: C16H17N5OS
• Molecular Mass: 327.40408
• Monoisotopic Mass: 327.11538119
• SMILES: c12nc(cn1CCS2)CNC(=O)CCc1nc2n(c1)cccc2
• Canonical SMILES: O=C(NCc1nc2n(c1)CCS2)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C16H17N5OS/c22-15(17-9-13-11-21-7-8-23-16(21)19-13)5-4-12-10-20-6-2-1-3-14(20)18-12/h1-3,6,10-11H,4-5,7-9H2,(H,17,22)
• InChIKey: MCDXMRFWJIHCPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}propanamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-imidazo[1,2-a]pyridin-2-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.035828
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.14348468
• LogD (pH = 7.4): 0.89699423
• Log P: 0.9249236
• Molar Refractivity: 90.5484 cm^3
• Polarizability: 34.215687 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.07
• LOG S: -2.96
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5