2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
Formula:C18H14N4OCl2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C18H14N4OCl2S3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C18H14Cl2N4OS3/c19-14-8-4-7-13(16(14)20)9-21-22-15(25)11-27-18-24-23-17(28-18)26-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,22,25) |
| InChIK | UWPQZNIUSVXILE-UHFFFAOYSA-N |
| TotalMolweight | 469.44 |
| Molweight | 469.44 |
| MonoisotopicMass | 467.970675 |
| CLogP | 5.625 |
| CLogS | -7.812 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 333.55 |
| Relative PSA | 0.33965 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.15 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
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