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

• ChemBase ID: 577690
• Molecular Formular: C13H13ClN6OS
• Molecular Mass: 336.79992
• Monoisotopic Mass: 336.05600775
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)NC(c1sc(nn1)N)(C)C
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(=O)NC(c1nnc(s1)N)(C)C
• InChI: InChI=1S/C13H13ClN6OS/c1-13(2,11-18-19-12(15)22-11)17-10(21)8-6-20-5-7(14)3-4-9(20)16-8/h3-6H,1-2H3,(H2,15,19)(H,17,21)
• InChIKey: KGWKCVVJZLBAQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.980947
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2490184
• LogD (pH = 7.4): 1.2531453
• Log P: 1.2533007
• Molar Refractivity: 86.996 cm^3
• Polarizability: 31.321186 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: 1.51
• LOG S: -2.94
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 3