3-{imidazo[1,2-a]pyridin-2-yl}-N-(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)propanamide

• ChemBase ID: 444511
• Molecular Formular: C16H16N6OS
• Molecular Mass: 340.40284
• Monoisotopic Mass: 340.11063016
• SMILES: c12nc(cn1ncs2)C(NC(=O)CCc1nc2n(c1)cccc2)C
• Canonical SMILES: O=C(NC(c1nc2n(c1)ncs2)C)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C16H16N6OS/c1-11(13-9-22-16(20-13)24-10-17-22)18-15(23)6-5-12-8-21-7-3-2-4-14(21)19-12/h2-4,7-11H,5-6H2,1H3,(H,18,23)
• InChIKey: BQZLPHGQRLTFFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.027371
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5768269
• LogD (pH = 7.4): 1.2892975
• Log P: 1.3166764
• Molar Refractivity: 112.2755 cm^3
• Polarizability: 34.109764 Å^3
• Polar Surface Area: 76.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -2.54
• Polar Surface Area: 76.59 Å^2
• Rotatable Bonds: 5