2-[2-(morpholin-4-yl)-1,3-thiazol-4-yl]acetohydrazide

• ChemBase ID: 230482
• Molecular Formular: C9H14N4O2S
• Molecular Mass: 242.29806
• Monoisotopic Mass: 242.08374671
• SMILES: c1(nc(CC(=O)NN)cs1)N1CCOCC1
• Canonical SMILES: NNC(=O)Cc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C9H14N4O2S/c10-12-8(14)5-7-6-16-9(11-7)13-1-3-15-4-2-13/h6H,1-5,10H2,(H,12,14)
• InChIKey: GOIUMPOWIPFBAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(morpholin-4-yl)-1,3-thiazol-4-yl]acetohydrazide
• IUPAC Traditional name: 2-[2-(morpholin-4-yl)-1,3-thiazol-4-yl]acetohydrazide
• Synonyms: (2-Morpholin-4-yl-thiazol-4-yl)-acetic acid hydrazide

Database IDs

• MDL Number: MFCD03147293
• PubChem SID: 164286392
• PubChem CID: 3818242

CALCULATED PROPERTIES

• Acid pKa: 12.154585
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.123763956
• LogD (pH = 7.4): 0.125977
• Log P: 0.12601231
• Molar Refractivity: 61.4847 cm^3
• Polarizability: 22.997969 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): -1.1

Product Information

• Purity: 95%