4-methyl-2-(morpholin-4-yl)-1,3-thiazole-5-carbohydrazide

• ChemBase ID: 233669
• Molecular Formular: C9H14N4O2S
• Molecular Mass: 242.29806
• Monoisotopic Mass: 242.08374671
• SMILES: c1(sc(nc1C)N1CCOCC1)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc(nc1C)N1CCOCC1
• InChI: InChI=1S/C9H14N4O2S/c1-6-7(8(14)12-10)16-9(11-6)13-2-4-15-5-3-13/h2-5,10H2,1H3,(H,12,14)
• InChIKey: SFOYVDNMMBLLAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(morpholin-4-yl)-1,3-thiazole-5-carbohydrazide
• IUPAC Traditional name: 4-methyl-2-(morpholin-4-yl)-1,3-thiazole-5-carbohydrazide
• Synonyms: 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

Database IDs

• MDL Number: MFCD05263185
• PubChem SID: 164289579
• PubChem CID: 2113354

CALCULATED PROPERTIES

• Acid pKa: 13.76206
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.023120347
• LogD (pH = 7.4): 0.023797385
• Log P: 0.0238062
• Molar Refractivity: 62.1809 cm^3
• Polarizability: 22.737074 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.284

Product Information

• Purity: 95%