N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 862345
• Molecular Formular: C15H21N5OS
• Molecular Mass: 319.42514
• Monoisotopic Mass: 319.14668132
• SMILES: c12C(C(=O)NCc3sc(nc3C)CCC)NCCc2[nH]cn1
• Canonical SMILES: Cc1nc(sc1CNC(=O)C1NCCc2c1nc[nH]2)CCC
• InChI: InChI=1S/C15H21N5OS/c1-3-4-12-20-9(2)11(22-12)7-17-15(21)14-13-10(5-6-16-14)18-8-19-13/h8,14,16H,3-7H2,1-2H3,(H,17,21)(H,18,19)
• InChIKey: PRWDXTWVQHGNJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.794942
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.6882091
• LogD (pH = 7.4): 0.45214397
• Log P: 0.55208087
• Molar Refractivity: 85.6003 cm^3
• Polarizability: 32.877422 Å^3
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.19
• LOG S: -2.68
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 5