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

• ChemBase ID: 580701
• Molecular Formular: C12H15N5OS
• Molecular Mass: 277.3454
• Monoisotopic Mass: 277.09973113
• SMILES: c1(C(=O)N2Cc3c([nH]cn3)CC2)c(nc(s1)N)CC
• Canonical SMILES: CCc1nc(sc1C(=O)N1CCc2c(C1)nc[nH]2)N
• InChI: InChI=1S/C12H15N5OS/c1-2-7-10(19-12(13)16-7)11(18)17-4-3-8-9(5-17)15-6-14-8/h6H,2-5H2,1H3,(H2,13,16)(H,14,15)
• InChIKey: PQWSFQBAJMUDDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.444488
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.36479774
• LogD (pH = 7.4): 0.15167637
• Log P: 0.16836366
• Molar Refractivity: 73.6571 cm^3
• Polarizability: 26.971487 Å^3
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.9
• LOG S: -1.76
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 2