3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

• ChemBase ID: 310709
• Molecular Formular: C12H15N3OS
• Molecular Mass: 249.332
• Monoisotopic Mass: 249.09358312
• SMILES: c1(c(c2c(s1)nc(c(c2C)CC)C)N)C(=O)N
• Canonical SMILES: CCc1c(C)nc2c(c1C)c(N)c(s2)C(=O)N
• InChI: InChI=1S/C12H15N3OS/c1-4-7-5(2)8-9(13)10(11(14)16)17-12(8)15-6(7)3/h4,13H2,1-3H3,(H2,14,16)
• InChIKey: CWKMPZOEUOYQAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• IUPAC Traditional name: 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• Synonyms: 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

Database IDs

• CAS Number: 312915-90-5
• MDL Number: MFCD00435826

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4058633
• LogD (pH = 7.4): 2.405994
• Log P: 2.4059956
• Molar Refractivity: 70.0316 cm^3
• Polarizability: 26.0468 Å^3
• Polar Surface Area: 82.0 Å^2