N'-[4-(2,4-dichlorophenyl)-3-(2-methylpropyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-2-(pyrazin-2-yloxy)acetohydrazide

• ChemBase ID: 130181
• Molecular Formular: C19H19Cl2N5O2S
• Molecular Mass: 452.35746
• Monoisotopic Mass: 451.06365123
• SMILES: O=C(N/N=c/1\scc(n1CC(C)C)c1ccc(Cl)cc1Cl)COc1nccnc1
• Canonical SMILES: CC(Cn1/c(=N/NC(=O)COc2cnccn2)/scc1c1ccc(cc1Cl)Cl)C
• InChI: InChI=1S/C19H19Cl2N5O2S/c1-12(2)9-26-16(14-4-3-13(20)7-15(14)21)11-29-19(26)25-24-17(27)10-28-18-8-22-5-6-23-18/h3-8,11-12H,9-10H2,1-2H3,(H,24,27)
• InChIKey: SQHAOMTXRPESIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[4-(2,4-dichlorophenyl)-3-(2-methylpropyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-2-(pyrazin-2-yloxy)acetohydrazide
• IUPAC Traditional name: N'-[4-(2,4-dichlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-2-ylidene]-2-(pyrazin-2-yloxy)acetohydrazide
• Synonyms: WAY-208,466

Database IDs

• CAS Number: ?
• PubChem SID: 162224465
• PubChem CID: 11820788
• CHEMBL: 571858
• Chemspider ID: 9995440
• Wikipedia Title: WAY-208,466

CALCULATED PROPERTIES

• Acid pKa: 9.667782
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.5885818
• LogD (pH = 7.4): 3.5865402
• Log P: 3.588611
• Molar Refractivity: 116.1479 cm^3
• Polarizability: 44.4669 Å^3
• Polar Surface Area: 79.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true