2-(morpholin-4-yl)-1,3-thiazole-4-carbohydrazide

• ChemBase ID: 233670
• Molecular Formular: C8H12N4O2S
• Molecular Mass: 228.27148
• Monoisotopic Mass: 228.06809664
• SMILES: n1c(C(=O)NN)csc1N1CCOCC1
• Canonical SMILES: NNC(=O)c1csc(n1)N1CCOCC1
• InChI: InChI=1S/C8H12N4O2S/c9-11-7(13)6-5-15-8(10-6)12-1-3-14-4-2-12/h5H,1-4,9H2,(H,11,13)
• InChIKey: PYGOQUVVURRPDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1,3-thiazole-4-carbohydrazide
• IUPAC Traditional name: 2-(morpholin-4-yl)-1,3-thiazole-4-carbohydrazide
• Synonyms: 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

Database IDs

• MDL Number: MFCD05263198
• PubChem SID: 164289580
• PubChem CID: 2113379

CALCULATED PROPERTIES

• Acid pKa: 14.1025505
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.14531967
• LogD (pH = 7.4): 0.14584021
• Log P: 0.14584693
• Molar Refractivity: 57.4333 cm^3
• Polarizability: 20.993 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): -0.093

Product Information

• Purity: 95%