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

• ChemBase ID: 699405
• Molecular Formular: C13H13N5OS2
• Molecular Mass: 319.40522
• Monoisotopic Mass: 319.05615206
• SMILES: c1(nc2n(c1)cccc2)C(=O)NCCSc1sc(nn1)C
• Canonical SMILES: Cc1nnc(s1)SCCNC(=O)c1nc2n(c1)cccc2
• InChI: InChI=1S/C13H13N5OS2/c1-9-16-17-13(21-9)20-7-5-14-12(19)10-8-18-6-3-2-4-11(18)15-10/h2-4,6,8H,5,7H2,1H3,(H,14,19)
• InChIKey: MTCMTORVMYMPOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6689415
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9677547
• LogD (pH = 7.4): 0.97227156
• Log P: 0.9723295
• Molar Refractivity: 85.8358 cm^3
• Polarizability: 31.226898 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.36
• LOG S: -5.03
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5