C9H11BrN4S2 — CID 105299200
[2-(4-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine (PubChem CID 105299200) has the molecular formula C9H11BrN4S2 and a molecular weight of 319.25 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine.
| Compound Name | [2-(4-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine |
|---|---|
| PubChem CID | 105299200 |
| Molecular Formula | C9H11BrN4S2 |
| Molecular Weight | 319.25 g/mol |
| Exact Mass | 317.96 |
| IUPAC Name | [2-(4-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine |
| SMILES | Cc1nnsc1C(Cc1cc(Br)cs1)NN |
| InChI | InChI=1S/C9H11BrN4S2/c1-5-9(16-14-13-5)8(12-11)3-7-2-6(10)4-15-7/h2,4,8,12H,3,11H2,1H3 |
| InChIKey | BUEKSHQVICIHPK-UHFFFAOYSA-N |
| XLogP | 2.42 |
| TPSA | 63.83 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 319.25 |
| LogP ≤ 5 | 2.42 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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