4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide

• ChemBase ID: 260428
• Molecular Formular: C8H10N2OS
• Molecular Mass: 182.2428
• Monoisotopic Mass: 182.05138395
• SMILES: N1(C(=O)N)Cc2c(scc2)CC1
• Canonical SMILES: NC(=O)N1CCc2c(C1)ccs2
• InChI: InChI=1S/C8H10N2OS/c9-8(11)10-3-1-7-6(5-10)2-4-12-7/h2,4H,1,3,5H2,(H2,9,11)
• InChIKey: NQPIVSJKPXGRJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
• IUPAC Traditional name: 4H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
• Synonyms: 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide

Database IDs

• MDL Number: MFCD09731178
• PubChem SID: 164316338
• PubChem CID: 16784441

CALCULATED PROPERTIES

• Acid pKa: 15.542616
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.76076126
• LogD (pH = 7.4): 0.76076126
• Log P: 0.76076126
• Molar Refractivity: 47.8585 cm^3
• Polarizability: 17.997225 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.091

Product Information

• Purity: 95%