(E)-N,N-dimethyl-N'-(1,3-thiazol-2-yl)methanimidamide

• ChemBase ID: 117385
• Molecular Formular: C6H9N3S
• Molecular Mass: 155.22076
• Monoisotopic Mass: 155.0517183
• SMILES: c1(/N=C/N(C)C)nccs1
• Canonical SMILES: CN(/C=N/c1nccs1)C
• InChI: InChI=1S/C6H9N3S/c1-9(2)5-8-6-7-3-4-10-6/h3-5H,1-2H3/b8-5+
• InChIKey: ZELZXDZNESXMHQ-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N,N-dimethyl-N'-(1,3-thiazol-2-yl)methanimidamide
• IUPAC Traditional name: (E)-N,N-dimethyl-N'-(1,3-thiazol-2-yl)methanimidamide
• Synonyms: N,N-dimethyl-N'-1,3-thiazol-2-ylimidoformamide

Database IDs

• MDL Number: MFCD00840019
• PubChem SID: 162101980
• PubChem CID: 6253636

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.45960987
• LogD (pH = 7.4): 0.7549267
• Log P: 0.9225665
• Molar Refractivity: 43.5941 cm^3
• Polarizability: 15.517453 Å^3
• Polar Surface Area: 28.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.355

Product Information

• Purity: 95+%