N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 329493
• Molecular Formular: C13H14N6OS
• Molecular Mass: 302.35486
• Monoisotopic Mass: 302.0949801
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NC(c1sc(nn1)N)C
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NC(c1nnc(s1)N)C
• InChI: InChI=1S/C13H14N6OS/c1-7-5-19-6-9(3-4-10(19)15-7)11(20)16-8(2)12-17-18-13(14)21-12/h3-6,8H,1-2H3,(H2,14,18)(H,16,20)
• InChIKey: GRAOSRKRNHRHRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.795378
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.692407
• LogD (pH = 7.4): -0.058888577
• Log P: -0.0379901
• Molar Refractivity: 82.4414 cm^3
• Polarizability: 29.29677 Å^3
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.61
• LOG S: -1.93
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 3