TL;DR: (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 846584-46-1) is a chemical compound with molecular formula C19H14N4OS and molecular weight 346.08884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (Z)-2-((E)-4-methylstyryl)-5-(pyridin-3-ylmethylene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C19H14N4OS |
| Molecular Weight | 346.08884 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.08884 Da |
| Heavy Atoms | 25 |
| Complexity | 556.0 |
| SMILES | CC1=CC=C(C=C1)/C=C/C2=NN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=N2 |
| InChIKey | PJPNFQVMQKGUIF-UVBRKHIMSA-N |
The XLogP value of 4.3 indicates that (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)[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 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 846584-46-1.
The molecular formula of (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C19H14N4OS.
The molecular weight of (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 346.08884 g/mol.
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