2-amino-4-(propan-2-yl)thiophene-3-carboxamide

• ChemBase ID: 272345
• Molecular Formular: C8H12N2OS
• Molecular Mass: 184.25868
• Monoisotopic Mass: 184.06703401
• SMILES: c1(c(csc1N)C(C)C)C(=O)N
• Canonical SMILES: CC(c1csc(c1C(=O)N)N)C
• InChI: InChI=1S/C8H12N2OS/c1-4(2)5-3-12-8(10)6(5)7(9)11/h3-4H,10H2,1-2H3,(H2,9,11)
• InChIKey: IVZKOYYIHQREAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-(propan-2-yl)thiophene-3-carboxamide
• IUPAC Traditional name: 2-amino-4-isopropylthiophene-3-carboxamide
• Synonyms: 2-amino-4-(propan-2-yl)thiophene-3-carboxamide

Database IDs

• MDL Number: MFCD10689202
• PubChem SID: 164328255
• PubChem CID: 43119798

CALCULATED PROPERTIES

• Acid pKa: 15.244724
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8364058
• LogD (pH = 7.4): 1.8364072
• Log P: 1.8364072
• Molar Refractivity: 50.2933 cm^3
• Polarizability: 18.435171 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.985

Product Information

• Purity: 95%