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

• ChemBase ID: 278734
• Molecular Formular: C7H7N3OS
• Molecular Mass: 181.21498
• Monoisotopic Mass: 181.03098286
• SMILES: c12n(c(c(n1)C)/C=N/O)ccs2
• Canonical SMILES: Cc1nc2n(c1/C=N/O)ccs2
• InChI: InChI=1S/C7H7N3OS/c1-5-6(4-8-11)10-2-3-12-7(10)9-5/h2-4,11H,1H3
• InChIKey: WWFGVUGEIUIZMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17257283
• PubChem SID: 164334644
• PubChem CID: 9555501

CALCULATED PROPERTIES

• Acid pKa: 10.374023
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4121555
• LogD (pH = 7.4): 0.4151935
• Log P: 0.4157
• Molar Refractivity: 58.3871 cm^3
• Polarizability: 17.06143 Å^3
• Polar Surface Area: 49.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.373

Product Information

• Purity: 95%