TL;DR: 6-(3-Fluorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 136025-37-1) is a chemical compound with molecular formula C14H8FN5S and molecular weight 297.04843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(3-fluorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10123814, 6-(3-fluorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AN-664/14507090, 6-(3-fluorophenyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 4-[6-(3-FLUOROPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-3-YL]PYRIDINE
| Molecular Formula | C14H8FN5S |
| Molecular Weight | 297.04843 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.04843 Da |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
| SMILES | C1=CC(=CC(=C1)F)C2=NN3C(=NN=C3S2)C4=CC=NC=C4 |
| InChIKey | IMCYVBUVNGSOLN-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-Fluorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-Fluorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 6-(3-Fluorophenyl)-3-pyridin-4-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 6-(3-Fluorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 136025-37-1.
The molecular formula of 6-(3-Fluorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C14H8FN5S.
The molecular weight of 6-(3-Fluorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 297.04843 g/mol.
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