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

• ChemBase ID: 542758
• Molecular Formular: C18H15FN6OS
• Molecular Mass: 382.4147032
• Monoisotopic Mass: 382.10120835
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NC(c1sc(nn1)N)C
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NC(c1nnc(s1)N)C
• InChI: InChI=1S/C18H15FN6OS/c1-10(17-23-24-18(20)27-17)21-16(26)12-4-7-15-22-14(9-25(15)8-12)11-2-5-13(19)6-3-11/h2-10H,1H3,(H2,20,24)(H,21,26)
• InChIKey: VQRRWELQLLAWAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.77668
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8156792
• LogD (pH = 7.4): 2.0033634
• Log P: 2.0064173
• Molar Refractivity: 102.8305 cm^3
• Polarizability: 38.08749 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: 1.9
• LOG S: -3.61
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 4