2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetohydrazide

• ChemBase ID: 230480
• Molecular Formular: C7H8N4OS
• Molecular Mass: 196.22962
• Monoisotopic Mass: 196.0418819
• SMILES: c12nc(cn1ccs2)CC(=O)NN
• Canonical SMILES: NNC(=O)Cc1cn2c(n1)scc2
• InChI: InChI=1S/C7H8N4OS/c8-10-6(12)3-5-4-11-1-2-13-7(11)9-5/h1-2,4H,3,8H2,(H,10,12)
• InChIKey: DHUIBZKIXICQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetohydrazide
• IUPAC Traditional name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetohydrazide
• Synonyms: Imidazo[2,1-b]thiazol-6-yl-acetic acid hydrazide

Database IDs

• MDL Number: MFCD03147289
• PubChem SID: 164286390
• PubChem CID: 4339821

CALCULATED PROPERTIES

• Acid pKa: 11.998528
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.018745374
• LogD (pH = 7.4): -0.0037052282
• Log P: -0.0035
• Molar Refractivity: 60.7543 cm^3
• Polarizability: 18.374784 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98 - 100°C
• Hydrophobicity(logP): -1.031

Product Information

• Purity: 95%