C13H9N3S — CID 71226275
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 71226275) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole.
| Compound Name | 5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole |
|---|---|
| PubChem CID | 71226275 |
| Molecular Formula | C13H9N3S |
| Molecular Weight | 239.30 g/mol |
| Exact Mass | 239.05 |
| IUPAC Name | 5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole |
| SMILES | c1ccc(-c2cnc(-c3cccnc3)s2)nc1 |
| InChI | InChI=1S/C13H9N3S/c1-2-7-15-11(5-1)12-9-16-13(17-12)10-4-3-6-14-8-10/h1-9H |
| InChIKey | DPZOHOQIMDIWNW-UHFFFAOYSA-N |
| XLogP | 3.27 |
| TPSA | 38.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 239.30 |
| LogP ≤ 5 | 3.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |