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

• ChemBase ID: 520624
• Molecular Formular: C14H15N5OS2
• Molecular Mass: 333.4318
• Monoisotopic Mass: 333.07180213
• SMILES: c12n(c(cn1)CNC(=O)CSc1sc(nn1)C)cccc2C
• Canonical SMILES: O=C(NCc1cnc2n1cccc2C)CSc1nnc(s1)C
• InChI: InChI=1S/C14H15N5OS2/c1-9-4-3-5-19-11(7-16-13(9)19)6-15-12(20)8-21-14-18-17-10(2)22-14/h3-5,7H,6,8H2,1-2H3,(H,15,20)
• InChIKey: CXSDSZNYFFIAGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.250477
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.051321592
• LogD (pH = 7.4): 0.66732234
• Log P: 0.7114059
• Molar Refractivity: 90.4229 cm^3
• Polarizability: 33.18152 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: 4
• H Donor: 1
• Log P: 0.58
• LOG S: -2.13
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5