2-[(2E)-2-[(furan-2-ylmethyl)imino]-3-(3-methoxyphenyl)-2,3-dihydro-1,3-thiazol-4-yl]acetohydrazide

• ChemBase ID: 232200
• Molecular Formular: C17H18N4O3S
• Molecular Mass: 358.41482
• Monoisotopic Mass: 358.10996146
• SMILES: n1(c(CC(=O)NN)cs/c/1=N/Cc1occc1)c1cc(OC)ccc1
• Canonical SMILES: NNC(=O)Cc1cs/c(=N/Cc2ccco2)/n1c1cccc(c1)OC
• InChI: InChI=1S/C17H18N4O3S/c1-23-14-5-2-4-12(8-14)21-13(9-16(22)20-18)11-25-17(21)19-10-15-6-3-7-24-15/h2-8,11H,9-10,18H2,1H3,(H,20,22)/b19-17+
• InChIKey: BODOHZNIGJRCHW-HTXNQAPBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2E)-2-[(furan-2-ylmethyl)imino]-3-(3-methoxyphenyl)-2,3-dihydro-1,3-thiazol-4-yl]acetohydrazide
• IUPAC Traditional name: 2-[(2E)-2-[(furan-2-ylmethyl)imino]-3-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetohydrazide
• Synonyms: [2-(Furan-2-ylmethylimino)-3-(3-methoxy-phenyl)-2,3-dihydro-thiazol-4-yl]-acetic acid hydrazide

Database IDs

• MDL Number: MFCD04606932
• PubChem SID: 164288110
• PubChem CID: 2442218

CALCULATED PROPERTIES

• Acid pKa: 11.98208
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.7224122
• LogD (pH = 7.4): 1.7253579
• Log P: 1.7254058
• Molar Refractivity: 99.306 cm^3
• Polarizability: 36.9854 Å^3
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 3.138

Product Information

• Purity: 95%