C13H16ClN3S — CID 105324371
[1-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine (PubChem CID 105324371) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine.
| Compound Name | [1-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine |
|---|---|
| PubChem CID | 105324371 |
| Molecular Formula | C13H16ClN3S |
| Molecular Weight | 281.81 g/mol |
| Exact Mass | 281.08 |
| IUPAC Name | [1-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine |
| SMILES | CCc1ccc(CC(NN)c2ccc(Cl)s2)nc1 |
| InChI | InChI=1S/C13H16ClN3S/c1-2-9-3-4-10(16-8-9)7-11(17-15)12-5-6-13(14)18-12/h3-6,8,11,17H,2,7,15H2,1H3 |
| InChIKey | ZYCKDTLPRCYQCU-UHFFFAOYSA-N |
| XLogP | 3.11 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 281.81 |
| LogP ≤ 5 | 3.11 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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