4-ethyl-5-[2-(3-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1,3-thiazol-2-amine

• ChemBase ID: 532753
• Molecular Formular: C18H18FN5OS
• Molecular Mass: 371.4318232
• Monoisotopic Mass: 371.12160944
• SMILES: c1(C(=O)N2Cc3nc([nH]c3CC2)c2cc(F)ccc2)c(nc(s1)N)CC
• Canonical SMILES: CCc1nc(sc1C(=O)N1CCc2c(C1)nc([nH]2)c1cccc(c1)F)N
• InChI: InChI=1S/C18H18FN5OS/c1-2-12-15(26-18(20)23-12)17(25)24-7-6-13-14(9-24)22-16(21-13)10-4-3-5-11(19)8-10/h3-5,8H,2,6-7,9H2,1H3,(H2,20,23)(H,21,22)
• InChIKey: FWJMZICBPWLMOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.658574
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1227844
• LogD (pH = 7.4): 2.3323183
• Log P: 2.335836
• Molar Refractivity: 108.9751 cm^3
• Polarizability: 36.865246 Å^3
• Polar Surface Area: 87.9 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: 1.39
• LOG S: -3.09
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 3