TL;DR: (Z)-2-(2-bromophenyl)-5-(4-(diethylamino)benzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 618853-39-7) is a chemical compound with molecular formula C21H19BrN4OS and molecular weight 454.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-2-(2-bromophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (Z)-2-(2-bromophenyl)-5-(4-(diethylamino)benzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(2-bromophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-2-(2-BROMOPHENYL)-5-{[4-(DIETHYLAMINO)PHENYL]METHYLIDENE}-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-ONE
| Molecular Formula | C21H19BrN4OS |
| Molecular Weight | 454.0463 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.0463 Da |
| Heavy Atoms | 28 |
| Complexity | 591.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=CC=C4Br)S2 |
| InChIKey | ASIDIWADHCVTCW-AQTBWJFISA-N |
The XLogP value of 5.9 indicates that (Z)-2-(2-bromophenyl)-5-(4-(diethylamino)benzylidene)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 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2-bromophenyl)-5-(4-(diethylamino)benzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, (Z)-2-(2-bromophenyl)-5-(4-(diethylamino)benzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-2-(2-bromophenyl)-5-(4-(diethylamino)benzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 618853-39-7.
The molecular formula of (Z)-2-(2-bromophenyl)-5-(4-(diethylamino)benzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C21H19BrN4OS.
The molecular weight of (Z)-2-(2-bromophenyl)-5-(4-(diethylamino)benzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 454.0463 g/mol.
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