N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide hydrochloride

• ChemBase ID: 250751
• Molecular Formular: C8H11Cl2N3O2S
• Molecular Mass: 284.16284
• Monoisotopic Mass: 282.99490297
• SMILES: n1c(scc1C)CC(=O)NNC(=O)CCl.Cl
• Canonical SMILES: Cc1csc(n1)CC(=O)NNC(=O)CCl.Cl
• InChI: InChI=1S/C8H10ClN3O2S.ClH/c1-5-4-15-8(10-5)2-6(13)11-12-7(14)3-9;/h4H,2-3H2,1H3,(H,11,13)(H,12,14);1H
• InChIKey: LDIMWKRFMOUKAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide hydrochloride
• IUPAC Traditional name: N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide hydrochloride
• Synonyms: 2-chloro-N'-[(4-methyl-1,3-thiazol-2-yl)acetyl]acetohydrazide hydrochloride

Database IDs

• MDL Number: MFCD07685904
• PubChem SID: 164306661
• PubChem CID: 16263135

CALCULATED PROPERTIES

• Acid pKa: 7.5758543
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.08376979
• LogD (pH = 7.4): -0.2705787
• Log P: -0.08034623
• Molar Refractivity: 56.084 cm^3
• Polarizability: 21.693111 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): -0.374

Product Information

• Purity: 95%
• Salt Data: HCl