C12H15N3O3S — CID 79765829
[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765829) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
| Compound Name | [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine |
|---|---|
| PubChem CID | 79765829 |
| Molecular Formula | C12H15N3O3S |
| Molecular Weight | 281.34 g/mol |
| Exact Mass | 281.08 |
| IUPAC Name | [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine |
| SMILES | COc1cccc(OC)c1OCc1cnc(NN)s1 |
| InChI | InChI=1S/C12H15N3O3S/c1-16-9-4-3-5-10(17-2)11(9)18-7-8-6-14-12(15-13)19-8/h3-6H,7,13H2,1-2H3,(H,14,15) |
| InChIKey | KEAMZKFCAICMCN-UHFFFAOYSA-N |
| XLogP | 2.02 |
| TPSA | 78.63 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 19 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 281.34 |
| LogP ≤ 5 | 2.02 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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