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

• ChemBase ID: 486650
• Molecular Formular: C12H12N6OS
• Molecular Mass: 288.32828
• Monoisotopic Mass: 288.07933003
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCc1sc(nn1)N
• Canonical SMILES: Nc1nnc(s1)CCNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C12H12N6OS/c13-12-17-16-10(20-12)3-4-15-11(19)8-1-2-9-14-5-6-18(9)7-8/h1-2,5-7H,3-4H2,(H2,13,17)(H,15,19)
• InChIKey: NCJJDURBNHUZCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.921064
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.1337154
• LogD (pH = 7.4): -0.52606004
• Log P: -0.5011118
• Molar Refractivity: 78.0554 cm^3
• Polarizability: 27.541964 Å^3
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.03
• LOG S: -2.59
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 4