2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
Formula:C20H17N4OClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C20H17N4OClS3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C20H17ClN4OS3/c21-17(11-15-7-3-1-4-8-15)12-22-23-18(26)14-28-20-25-24-19(29-20)27-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,26) |
| InChIK | MUVZOXGFVHCPFR-UHFFFAOYSA-N |
| TotalMolweight | 461.033 |
| Molweight | 461.033 |
| MonoisotopicMass | 460.025298 |
| CLogP | 4.8929 |
| CLogS | -7.323 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 342.84 |
| Relative PSA | 0.33045 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.3805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off