2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C20H18N4OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C20H18N4OS3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H18N4OS3/c25-18(22-21-13-7-12-16-8-3-1-4-9-16)15-27-20-24-23-19(28-20)26-14-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,25) |
| InChIK | SLEGIGLFCOOTKS-UHFFFAOYSA-N |
| TotalMolweight | 426.588 |
| Molweight | 426.588 |
| MonoisotopicMass | 426.064271 |
| CLogP | 4.4313 |
| CLogS | -6.632 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.21 |
| Relative PSA | 0.34413 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.1553 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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