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

• ChemBase ID: 311914
• Molecular Formular: C7H10N4OS2
• Molecular Mass: 230.3105
• Monoisotopic Mass: 230.02960296
• SMILES: s1c(nnc1N)SCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)CSc1nnc(s1)N
• InChI: InChI=1S/C7H10N4OS2/c8-6-10-11-7(14-6)13-3-5(12)9-4-1-2-4/h4H,1-3H2,(H2,8,10)(H,9,12)
• InChIKey: LHYDSLUUPKEQMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 876532-11-5
• MDL Number: MFCD03609314

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.03497117
• LogD (pH = 7.4): -0.03496962
• Log P: -0.0349695
• Molar Refractivity: 57.9574 cm^3
• Polarizability: 21.272781 Å^3
• Polar Surface Area: 80.9 Å^2