TL;DR: (5Z)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CAS 381208-64-6) is a chemical compound with molecular formula C25H23N5O2S and molecular weight 457.15726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (Z)-5-((3-(4-(isopentyloxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-5-({3-[4-(3-METHYLBUTOXY)PHENYL]-1-PHENYL-1H-PYRAZOL-4-YL}METHYLIDENE)-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-ONE, (5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C25H23N5O2S |
| Molecular Weight | 457.15726 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.15726 Da |
| Heavy Atoms | 33 |
| Complexity | 705.0 |
| SMILES | CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N4C(=NC=N4)S3)C5=CC=CC=C5 |
| InChIKey | HLYSCKAESFWOCW-HMAPJEAMSA-N |
The XLogP value of 6.0 indicates that (5Z)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one. Following Lipinski's Rule of Five, (5Z)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-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)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is 381208-64-6.
The molecular formula of (5Z)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is C25H23N5O2S.
The molecular weight of (5Z)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is 457.15726 g/mol.
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