2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dimethylacetamide

• ChemBase ID: 311884
• Molecular Formular: C6H10N4OS2
• Molecular Mass: 218.2998
• Monoisotopic Mass: 218.02960296
• SMILES: s1c(nnc1N)SCC(=O)N(C)C
• Canonical SMILES: CN(C(=O)CSc1nnc(s1)N)C
• InChI: InChI=1S/C6H10N4OS2/c1-10(2)4(11)3-12-6-9-8-5(7)13-6/h3H2,1-2H3,(H2,7,8)
• InChIKey: QZNOZEOYCVXUPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dimethylacetamide
• IUPAC Traditional name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dimethylacetamide
• Synonyms: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N,N-dimethylacetamide

Database IDs

• CAS Number: 296879-33-9
• MDL Number: MFCD01417929

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.27685964
• LogD (pH = 7.4): -0.27685803
• Log P: -0.27685797
• Molar Refractivity: 55.6429 cm^3
• Polarizability: 20.157162 Å^3
• Polar Surface Area: 72.11 Å^2