C12H12N2OS — CID 116890867
[1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopropyl]methanol (PubChem CID 116890867) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is [1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopropyl]methanol.
| Compound Name | [1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopropyl]methanol |
|---|---|
| PubChem CID | 116890867 |
| Molecular Formula | C12H12N2OS |
| Molecular Weight | 232.31 g/mol |
| Exact Mass | 232.07 |
| IUPAC Name | [1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopropyl]methanol |
| SMILES | OCC1(c2csc(-c3ccccn3)n2)CC1 |
| InChI | InChI=1S/C12H12N2OS/c15-8-12(4-5-12)10-7-16-11(14-10)9-3-1-2-6-13-9/h1-3,6-7,15H,4-5,8H2 |
| InChIKey | NYAXYZSKMKOMCQ-UHFFFAOYSA-N |
| XLogP | 2.23 |
| TPSA | 46.01 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 232.31 |
| LogP ≤ 5 | 2.23 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |