2-amino-5-methylthiophene-3-carboxamide

• ChemBase ID: 269470
• Molecular Formular: C6H8N2OS
• Molecular Mass: 156.20552
• Monoisotopic Mass: 156.03573389
• SMILES: c1(c(sc(c1)C)N)C(=O)N
• Canonical SMILES: Cc1sc(c(c1)C(=O)N)N
• InChI: InChI=1S/C6H8N2OS/c1-3-2-4(5(7)9)6(8)10-3/h2H,8H2,1H3,(H2,7,9)
• InChIKey: DVGHAYAFIHAXOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methylthiophene-3-carboxamide
• IUPAC Traditional name: 2-amino-5-methylthiophene-3-carboxamide
• Synonyms: 2-amino-5-methylthiophene-3-carboxamide; 2-AMINO-5-METHYL-3-THIOPHENECARBOXAMIDE

Database IDs

• CAS Number: 51486-03-4
• MDL Number: MFCD00082804
• PubChem SID: 164325380
• PubChem CID: 13625732

CALCULATED PROPERTIES

• Acid pKa: 15.2261305
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2372587
• LogD (pH = 7.4): 1.2372589
• Log P: 1.2372589
• Molar Refractivity: 41.1588 cm^3
• Polarizability: 14.787121 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.697

Product Information

• Purity: 95%; 98%