C11H13N5O2S — CID 67087165
5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide (PubChem CID 67087165) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide.
| Compound Name | 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 67087165 |
| Molecular Formula | C11H13N5O2S |
| Molecular Weight | 279.32 g/mol |
| Exact Mass | 279.08 |
| IUPAC Name | 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide |
| SMILES | CC(NC(=O)c1ccc(C(=O)NN)s1)c1ccn[nH]1 |
| InChI | InChI=1S/C11H13N5O2S/c1-6(7-4-5-13-16-7)14-10(17)8-2-3-9(19-8)11(18)15-12/h2-6H,12H2,1H3,(H,13,16)(H,14,17)(H,15,18) |
| InChIKey | KYDURLOIAHALTA-UHFFFAOYSA-N |
| XLogP | 0.57 |
| TPSA | 112.90 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 279.32 |
| LogP ≤ 5 | 0.57 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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