N,N-dimethyl-N'-(1,3,4-thiadiazol-2-yl)methanimidamide

• ChemBase ID: 78911
• Molecular Formular: C5H8N4S
• Molecular Mass: 156.20882
• Monoisotopic Mass: 156.04696728
• SMILES: N(=C\N(C)C)/c1nncs1
• Canonical SMILES: CN(/C=N/c1scnn1)C
• InChI: InChI=1S/C5H8N4S/c1-9(2)3-6-5-8-7-4-10-5/h3-4H,1-2H3
• InChIKey: PYQFJCKYTMMIEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-N'-(1,3,4-thiadiazol-2-yl)methanimidamide
• IUPAC Traditional name: N,N-dimethyl-N'-(1,3,4-thiadiazol-2-yl)methanimidamide
• Synonyms: N,N-dimethyl-N'-(1,3,4-thiadiazol-2-yl)iminoformamide

Database IDs

• MDL Number: MFCD00116838
• PubChem SID: 162043674
• PubChem CID: 9582096

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7075625
• LogD (pH = 7.4): 0.012556226
• Log P: 0.038819753
• Molar Refractivity: 43.7169 cm^3
• Polarizability: 14.705725 Å^3
• Polar Surface Area: 41.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true