C13H20N4O2S — CID 82437904
4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82437904) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide.
| Compound Name | 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide |
|---|---|
| PubChem CID | 82437904 |
| Molecular Formula | C13H20N4O2S |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.13 |
| IUPAC Name | 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide |
| SMILES | NNC(=O)c1sc(CCN2CCOCC2)nc1C1CC1 |
| InChI | InChI=1S/C13H20N4O2S/c14-16-13(18)12-11(9-1-2-9)15-10(20-12)3-4-17-5-7-19-8-6-17/h9H,1-8,14H2,(H,16,18) |
| InChIKey | HSJKDKTYMJUPII-UHFFFAOYSA-N |
| XLogP | 0.50 |
| TPSA | 80.48 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 20 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 296.40 |
| LogP ≤ 5 | 0.50 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
| 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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