2-amino-N-cyclopropylthiophene-3-carboxamide

• ChemBase ID: 26759
• Molecular Formular: C8H10N2OS
• Molecular Mass: 182.2428
• Monoisotopic Mass: 182.05138395
• SMILES: c1(C(=O)NC2CC2)c(scc1)N
• Canonical SMILES: O=C(c1ccsc1N)NC1CC1
• InChI: InChI=1S/C8H10N2OS/c9-7-6(3-4-12-7)8(11)10-5-1-2-5/h3-5H,1-2,9H2,(H,10,11)
• InChIKey: INQNQYOYQKKZQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopropylthiophene-3-carboxamide
• IUPAC Traditional name: 2-amino-N-cyclopropylthiophene-3-carboxamide
• Synonyms: 2-Amino-N-cyclopropylthiophene-3-carboxamide

Database IDs

• CAS Number: 590352-44-6
• MDL Number: MFCD03945607
• PubChem SID: 160990066
• PubChem CID: 3284954

CALCULATED PROPERTIES

• Acid pKa: 15.646945
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2806386
• LogD (pH = 7.4): 1.2806387
• Log P: 1.2806387
• Molar Refractivity: 48.2104 cm^3
• Polarizability: 17.803705 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.012

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%