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

• ChemBase ID: 555166
• Molecular Formular: C15H21N5OS
• Molecular Mass: 319.42514
• Monoisotopic Mass: 319.14668132
• SMILES: c12C(C(=O)NCCCc3nc(c(s3)C)C)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCCCc1sc(c(n1)C)C
• InChI: InChI=1S/C15H21N5OS/c1-9-10(2)22-12(20-9)4-3-6-17-15(21)14-13-11(5-7-16-14)18-8-19-13/h8,14,16H,3-7H2,1-2H3,(H,17,21)(H,18,19)
• InChIKey: PMUYFYYLRUBISJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.88549
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.84451693
• LogD (pH = 7.4): 0.2961663
• Log P: 0.39617342
• Molar Refractivity: 85.9853 cm^3
• Polarizability: 32.879223 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: -0.13
• LOG S: -2.73
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 5