2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C19H15N4OF3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C19H15N4OF3S3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C19H15F3N4OS3/c20-19(21,22)15-8-6-13(7-9-15)10-23-24-16(27)12-29-18-26-25-17(30-18)28-11-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,24,27) |
| InChIK | UOXXDDCHKBXRAK-UHFFFAOYSA-N |
| TotalMolweight | 468.547 |
| Molweight | 468.547 |
| MonoisotopicMass | 468.036005 |
| CLogP | 5.2613 |
| CLogS | -7.118 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 332.17 |
| Relative PSA | 0.34106 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | -2.0577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
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