C12H15N3OS — CID 105212005
[1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine (PubChem CID 105212005) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine.
| Compound Name | [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine |
|---|---|
| PubChem CID | 105212005 |
| Molecular Formula | C12H15N3OS |
| Molecular Weight | 249.34 g/mol |
| Exact Mass | 249.09 |
| IUPAC Name | [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine |
| SMILES | COc1cncc(C(Cc2cccs2)NN)c1 |
| InChI | InChI=1S/C12H15N3OS/c1-16-10-5-9(7-14-8-10)12(15-13)6-11-3-2-4-17-11/h2-5,7-8,12,15H,6,13H2,1H3 |
| InChIKey | ZBCDGININLYUSX-UHFFFAOYSA-N |
| XLogP | 1.90 |
| TPSA | 60.17 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 249.34 |
| LogP ≤ 5 | 1.90 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|