2-hydrazinyl-4-(4-methoxyphenyl)-1,3-thiazole

• ChemBase ID: 310368
• Molecular Formular: C10H11N3OS
• Molecular Mass: 221.27884
• Monoisotopic Mass: 221.06228299
• SMILES: n1c(scc1c1ccc(cc1)OC)NN
• Canonical SMILES: COc1ccc(cc1)c1csc(n1)NN
• InChI: InChI=1S/C10H11N3OS/c1-14-8-4-2-7(3-5-8)9-6-15-10(12-9)13-11/h2-6H,11H2,1H3,(H,12,13)
• InChIKey: QBSBVOHLMZHINL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-(4-methoxyphenyl)-1,3-thiazole
• IUPAC Traditional name: 2-hydrazinyl-4-(4-methoxyphenyl)-1,3-thiazole
• Synonyms: 2-hydrazino-4-(4-methoxyphenyl)-1,3-thiazole

Database IDs

• CAS Number: 4871-25-4
• MDL Number: MFCD03308793

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5516636
• LogD (pH = 7.4): 2.5829222
• Log P: 2.5833356
• Molar Refractivity: 61.6738 cm^3
• Polarizability: 24.118149 Å^3
• Polar Surface Area: 60.17 Å^2