2-amino-5-propylthiophene-3-carboxamide

• ChemBase ID: 26521
• Molecular Formular: C8H12N2OS
• Molecular Mass: 184.25868
• Monoisotopic Mass: 184.06703401
• SMILES: c1(c(sc(c1)CCC)N)C(=O)N
• Canonical SMILES: CCCc1sc(c(c1)C(=O)N)N
• InChI: InChI=1S/C8H12N2OS/c1-2-3-5-4-6(7(9)11)8(10)12-5/h4H,2-3,10H2,1H3,(H2,9,11)
• InChIKey: SFXHEUYUIMLWKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-propylthiophene-3-carboxamide
• IUPAC Traditional name: 2-amino-5-propylthiophene-3-carboxamide
• Synonyms: 2-Amino-5-propylthiophene-3-carboxamide

Database IDs

• MDL Number: MFCD03419833
• PubChem SID: 160989828
• PubChem CID: 23005525

CALCULATED PROPERTIES

• Acid pKa: 15.189207
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1263947
• LogD (pH = 7.4): 2.1263962
• Log P: 2.1263962
• Molar Refractivity: 50.2838 cm^3
• Polarizability: 18.43935 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false