TL;DR: (5Z)-2-(3-chlorophenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 956188-69-5) is a chemical compound with molecular formula C26H15ClFN5OS and molecular weight 499.067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-2-(3-chlorophenyl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-2-(3-chlorophenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(3-chlorophenyl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (Z)-2-(3-chlorophenyl)-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C26H15ClFN5OS |
| Molecular Weight | 499.067 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.067 Da |
| Heavy Atoms | 35 |
| Complexity | 805.0 |
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=C\4/C(=O)N5C(=NC(=N5)C6=CC(=CC=C6)Cl)S4 |
| InChIKey | UTCGSTBBRNJFQC-HMAPJEAMSA-N |
The XLogP value of 6.7 indicates that (5Z)-2-(3-chlorophenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-2-(3-chlorophenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, (5Z)-2-(3-chlorophenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z)-2-(3-chlorophenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 956188-69-5.
The molecular formula of (5Z)-2-(3-chlorophenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C26H15ClFN5OS.
The molecular weight of (5Z)-2-(3-chlorophenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 499.067 g/mol.
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