N-methyl-5-(5-methyl-1,3-oxazole-4-carbonyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

• ChemBase ID: 618222
• Molecular Formular: C14H15N3O3S
• Molecular Mass: 305.3522
• Monoisotopic Mass: 305.08341236
• SMILES: c1(C(=O)N2Cc3c(sc(c3)C(=O)NC)CC2)ncoc1C
• Canonical SMILES: CNC(=O)c1sc2c(c1)CN(CC2)C(=O)c1ncoc1C
• InChI: InChI=1S/C14H15N3O3S/c1-8-12(16-7-20-8)14(19)17-4-3-10-9(6-17)5-11(21-10)13(18)15-2/h5,7H,3-4,6H2,1-2H3,(H,15,18)
• InChIKey: UKMUGJXBJMUPJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-(5-methyl-1,3-oxazole-4-carbonyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• IUPAC Traditional name: N-methyl-5-(5-methyl-1,3-oxazole-4-carbonyl)-4H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• Synonyms: N-methyl-5-[(5-methyl-1,3-oxazol-4-yl)carbonyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.784531
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.68254
• LogD (pH = 7.4): 0.6825399
• Log P: 0.68254006
• Molar Refractivity: 79.0986 cm^3
• Polarizability: 28.787258 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.83
• LOG S: -2.03
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 2