C11H12IN3S — CID 105254388
[2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105254388) has the molecular formula C11H12IN3S and a molecular weight of 345.21 g/mol. Its IUPAC name is [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine.
| Compound Name | [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine |
|---|---|
| PubChem CID | 105254388 |
| Molecular Formula | C11H12IN3S |
| Molecular Weight | 345.21 g/mol |
| Exact Mass | 344.98 |
| IUPAC Name | [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine |
| SMILES | NNC(Cc1ccc(I)cc1)c1cscn1 |
| InChI | InChI=1S/C11H12IN3S/c12-9-3-1-8(2-4-9)5-10(15-13)11-6-16-7-14-11/h1-4,6-7,10,15H,5,13H2 |
| InChIKey | QYADDGQDXFOEAT-UHFFFAOYSA-N |
| XLogP | 2.49 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 345.21 |
| LogP ≤ 5 | 2.49 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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