C11H13N3S — CID 116887834
[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine (PubChem CID 116887834) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is [4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine.
| Compound Name | [4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine |
|---|---|
| PubChem CID | 116887834 |
| Molecular Formula | C11H13N3S |
| Molecular Weight | 219.31 g/mol |
| Exact Mass | 219.08 |
| IUPAC Name | [4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine |
| SMILES | Cc1cccc(-c2nc(C)c(NN)s2)c1 |
| InChI | InChI=1S/C11H13N3S/c1-7-4-3-5-9(6-7)11-13-8(2)10(14-12)15-11/h3-6,14H,12H2,1-2H3 |
| InChIKey | BMLLCTZYTCZGEP-UHFFFAOYSA-N |
| XLogP | 2.71 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 219.31 |
| LogP ≤ 5 | 2.71 |
| 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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