(E)-N-({2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)hydroxylamine

• ChemBase ID: 252058
• Molecular Formular: C8H9N3OS
• Molecular Mass: 195.24156
• Monoisotopic Mass: 195.04663292
• SMILES: c12n(c(c(n1)C)/C=N/O)cc(s2)C
• Canonical SMILES: Cc1nc2n(c1/C=N/O)cc(s2)C
• InChI: InChI=1S/C8H9N3OS/c1-5-4-11-7(3-9-12)6(2)10-8(11)13-5/h3-4,12H,1-2H3/b9-3+
• InChIKey: VDTQBBVNXNLCBZ-YCRREMRBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-({2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)hydroxylamine
• IUPAC Traditional name: (E)-N-({2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)hydroxylamine
• Synonyms: 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde oxime

Database IDs

• MDL Number: MFCD07850224
• PubChem SID: 164307968
• PubChem CID: 9754366

CALCULATED PROPERTIES

• Acid pKa: 10.581465
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0277544
• LogD (pH = 7.4): 1.0357049
• Log P: 1.0361
• Molar Refractivity: 63.4434 cm^3
• Polarizability: 18.808231 Å^3
• Polar Surface Area: 49.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.672

Product Information

• Purity: 95%