N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 429672
• Molecular Formular: C15H18N6OS
• Molecular Mass: 330.40802
• Monoisotopic Mass: 330.12628023
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)NC(c1sc(nn1)N)(C)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2C(=O)NC(c1nnc(s1)N)(C)C)C
• InChI: InChI=1S/C15H18N6OS/c1-8-5-6-21-10(7-8)17-9(2)11(21)12(22)18-15(3,4)13-19-20-14(16)23-13/h5-7H,1-4H3,(H2,16,20)(H,18,22)
• InChIKey: CCPBXIWRRMEXAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-1-methylethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.106438
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.756027
• LogD (pH = 7.4): 0.82720566
• Log P: 0.8281983
• Molar Refractivity: 92.0734 cm^3
• Polarizability: 32.886124 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: 1.79
• LOG S: -3.14
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 3