N-methyl-4-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1,3-thiazol-2-amine

• ChemBase ID: 343928
• Molecular Formular: C17H17N5OS
• Molecular Mass: 339.41478
• Monoisotopic Mass: 339.11538119
• SMILES: c1(nc(sc1)NC)C(=O)N1Cc2nc([nH]c2CC1)c1ccccc1
• Canonical SMILES: CNc1scc(n1)C(=O)N1CCc2c(C1)nc([nH]2)c1ccccc1
• InChI: InChI=1S/C17H17N5OS/c1-18-17-21-14(10-24-17)16(23)22-8-7-12-13(9-22)20-15(19-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,21)(H,19,20)
• InChIKey: BRYZRSQTXKNCPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1,3-thiazol-2-amine
• IUPAC Traditional name: N-methyl-4-{2-phenyl-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1,3-thiazol-2-amine
• Synonyms: N-methyl-4-[(2-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)carbonyl]-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.7398815
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6807219
• LogD (pH = 7.4): 1.9123205
• Log P: 1.9163429
• Molar Refractivity: 104.8776 cm^3
• Polarizability: 35.397457 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.34
• LOG S: -3.27
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 3