3-{imidazo[1,2-a]pyridin-2-yl}-N-{[4-(propan-2-yl)-1,2,3-thiadiazol-5-yl]methyl}propanamide

• ChemBase ID: 487725
• Molecular Formular: C16H19N5OS
• Molecular Mass: 329.41996
• Monoisotopic Mass: 329.13103125
• SMILES: c1(c(snn1)CNC(=O)CCc1nc2n(c1)cccc2)C(C)C
• Canonical SMILES: O=C(NCc1snnc1C(C)C)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C16H19N5OS/c1-11(2)16-13(23-20-19-16)9-17-15(22)7-6-12-10-21-8-4-3-5-14(21)18-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,22)
• InChIKey: BURQDCDNHAKDNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-{[4-(propan-2-yl)-1,2,3-thiadiazol-5-yl]methyl}propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.757708
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2136787
• LogD (pH = 7.4): 1.9256861
• Log P: 1.9530582
• Molar Refractivity: 90.6277 cm^3
• Polarizability: 33.850094 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: 1.17
• LOG S: -2.6
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 6