TL;DR: 3-(4-Ethoxyphenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 151297-81-3) is a chemical compound with molecular formula C16H13N5OS and molecular weight 323.08408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-ethoxyphenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: F3244-0009, 3-[3-(4-ETHOXYPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL]PYRIDINE, 3-(4-ethoxyphenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-ethoxyphenyl)-6-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-ethoxyphenyl)-6-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H13N5OS |
| Molecular Weight | 323.08408 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.08408 Da |
| Heavy Atoms | 23 |
| Complexity | 393.0 |
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CN=CC=C4 |
| InChIKey | DEHQVYFNPKPRDD-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Ethoxyphenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Ethoxyphenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(4-Ethoxyphenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-Ethoxyphenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 151297-81-3.
The molecular formula of 3-(4-Ethoxyphenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C16H13N5OS.
The molecular weight of 3-(4-Ethoxyphenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 323.08408 g/mol.
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