C13H14N4O3S2 — CID 18120603
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 18120603) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
| Compound Name | 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide |
|---|---|
| PubChem CID | 18120603 |
| Molecular Formula | C13H14N4O3S2 |
| Molecular Weight | 338.41 g/mol |
| Exact Mass | 338.05 |
| IUPAC Name | 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide |
| SMILES | O=C(NNC(=O)c1cccs1)c1csc(N2CCOCC2)n1 |
| InChI | InChI=1S/C13H14N4O3S2/c18-11(15-16-12(19)10-2-1-7-21-10)9-8-22-13(14-9)17-3-5-20-6-4-17/h1-2,7-8H,3-6H2,(H,15,18)(H,16,19) |
| InChIKey | XZIZDWQHJOWCLP-UHFFFAOYSA-N |
| XLogP | 1.12 |
| TPSA | 83.56 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 22 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 338.41 |
| LogP ≤ 5 | 1.12 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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