3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylpropanamide
Formula:C15H17N3O4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylpropanamide is a drug-like molecule.
| MolName | 3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylpropanamide |
| MolecularFormula | C15H17N3O4S2 |
| Smiles | O=C(CCN(C(/C(/S1)=C\c2ccco2)=O)C1=S)NN1CCOCC1 |
| InChI | InChI=1S/C15H17N3O4S2/c19-13(16-17-5-8-21-9-6-17)3-4-18-14(20)12(24-15(18)23)10-11-2-1-7-22-11/h1-2,7,10H,3-6,8-9H2,(H,16,19) |
| InChIK | MKMNIRRGLYUNLY-UHFFFAOYSA-N |
| TotalMolweight | 367.449 |
| Molweight | 367.449 |
| MonoisotopicMass | 367.066047 |
| CLogP | -1.067 |
| CLogS | -2.656 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 270.98 |
| Relative PSA | 0.42158 |
| PolarSurfaceArea | 132.41 |
| Druglikeness | 4.7072 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylpropanamide | 2 - 3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylpropanamide
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