About [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
[(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine (PubChem CID 105287302) has the molecular formula C10H11ClN4S
and a molecular weight of 254.75 g/mol. Its IUPAC name is [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine.
Molecular Properties
| Compound Name | [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine |
| PubChem CID | 105287302 |
| Molecular Formula | C10H11ClN4S |
| Molecular Weight | 254.75 g/mol |
| Exact Mass | 254.04 |
| IUPAC Name | [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine |
| SMILES | Cc1nnsc1C(NN)c1ccccc1Cl |
| InChI | InChI=1S/C10H11ClN4S/c1-6-10(16-15-14-6)9(13-12)7-4-2-3-5-8(7)11/h2-5,9,13H,12H2,1H3 |
| InChIKey | KHAGXOKCBHGQNY-UHFFFAOYSA-N |
| XLogP | 2.05 |
| TPSA | 63.83 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.75 |
| LogP ≤ 5 | 2.05 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine?
The IUPAC name of [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine (CID 105287302) is [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine is Cc1nnsc1C(NN)c1ccccc1Cl.
What is the InChIKey of [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine?
The InChIKey is KHAGXOKCBHGQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-6-10(16-15-14-6)9(13-12)7-4-2-3-5-8(7)11/h2-5,9,13H,12H2,1H3.
What are the key properties of [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine?
[(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine has a molecular weight of 254.75 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105287302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).