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

• ChemBase ID: 721434
• Molecular Formular: C15H17N5OS
• Molecular Mass: 315.39338
• Monoisotopic Mass: 315.11538119
• SMILES: n12c(nc(c1)CCC(=O)NCc1nnc(s1)CC)cccc2
• Canonical SMILES: CCc1nnc(s1)CNC(=O)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C15H17N5OS/c1-2-14-18-19-15(22-14)9-16-13(21)7-6-11-10-20-8-4-3-5-12(20)17-11/h3-5,8,10H,2,6-7,9H2,1H3,(H,16,21)
• InChIKey: VDJTXFPVSFZCOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.057695
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.21057858
• LogD (pH = 7.4): 0.501429
• Log P: 0.52880204
• Molar Refractivity: 86.4785 cm^3
• Polarizability: 32.005337 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: 0.24
• LOG S: -3.02
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 6