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

• ChemBase ID: 749607
• Molecular Formular: C17H20N6OS
• Molecular Mass: 356.4453
• Monoisotopic Mass: 356.14193029
• SMILES: c1(sc(nn1)N)C1(NC(=O)c2cn3c(nc(c3)C)cc2)CCCCC1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NC1(CCCCC1)c1nnc(s1)N
• InChI: InChI=1S/C17H20N6OS/c1-11-9-23-10-12(5-6-13(23)19-11)14(24)20-17(7-3-2-4-8-17)15-21-22-16(18)25-15/h5-6,9-10H,2-4,7-8H2,1H3,(H2,18,22)(H,20,24)
• InChIKey: XZYIGXYGZWFVNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.841253
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.7671968
• LogD (pH = 7.4): 1.3998287
• Log P: 1.4206634
• Molar Refractivity: 99.0015 cm^3
• Polarizability: 35.902195 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: 1.8
• LOG S: -3.34
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 3