2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C19H14N4OClF3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C19H14N4OClF3S3 |
| Smiles | O=C(CSc1nnc(SCc(cccc2)c2Cl)s1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C19H14ClF3N4OS3/c20-15-4-2-1-3-13(15)10-29-17-26-27-18(31-17)30-11-16(28)25-24-9-12-5-7-14(8-6-12)19(21,22)23/h1-9H,10-11H2,(H,25,28) |
| InChIK | JNJWTCHXLDNAJA-UHFFFAOYSA-N |
| TotalMolweight | 502.992 |
| Molweight | 502.992 |
| MonoisotopicMass | 501.997032 |
| CLogP | 5.8673 |
| CLogS | -7.854 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 347.59 |
| Relative PSA | 0.32593 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | -2.04 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
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