5-methyl-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 575630
• Molecular Formular: C15H17N5OS2
• Molecular Mass: 347.45838
• Monoisotopic Mass: 347.08745219
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)NCCCSc1sc(nn1)C
• Canonical SMILES: Cc1nnc(s1)SCCCNC(=O)c1nc2n(c1)c(C)ccc2
• InChI: InChI=1S/C15H17N5OS2/c1-10-5-3-6-13-17-12(9-20(10)13)14(21)16-7-4-8-22-15-19-18-11(2)23-15/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,21)
• InChIKey: TXKFDGZUANLZJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 5-methyl-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.683456
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3826689
• LogD (pH = 7.4): 1.3876935
• Log P: 1.387758
• Molar Refractivity: 95.6969 cm^3
• Polarizability: 34.81432 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: 2.56
• LOG S: -3.92
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 6