N-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 522408
• Molecular Formular: C15H17N5OS2
• Molecular Mass: 347.45838
• Monoisotopic Mass: 347.08745219
• SMILES: c12n(c(cn1)CC(=O)NCCSc1sc(nn1)C)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCCSc1nnc(s1)C
• InChI: InChI=1S/C15H17N5OS2/c1-10-4-3-6-20-12(9-17-14(10)20)8-13(21)16-5-7-22-15-19-18-11(2)23-15/h3-4,6,9H,5,7-8H2,1-2H3,(H,16,21)
• InChIKey: KAIOPPBXMVTMPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.755797
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.20575638
• LogD (pH = 7.4): 0.94876176
• Log P: 1.0000671
• Molar Refractivity: 95.1779 cm^3
• Polarizability: 35.01295 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.78
• LOG S: -2.4
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 6