2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide
Formula:C17H12N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide |
| MolecularFormula | C17H12N4OS2 |
| Smiles | N#Cc1ccc(/C=N\NC(CSc2nc(cccc3)c3s2)=O)cc1 |
| InChI | InChI=1S/C17H12N4OS2/c18-9-12-5-7-13(8-6-12)10-19-21-16(22)11-23-17-20-14-3-1-2-4-15(14)24-17/h1-8,10H,11H2,(H,21,22) |
| InChIK | QALVKCAQKPJXQY-UHFFFAOYSA-N |
| TotalMolweight | 352.441 |
| Molweight | 352.441 |
| MonoisotopicMass | 352.045251 |
| CLogP | 3.7519 |
| CLogS | -5.872 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.25 |
| Relative PSA | 0.36542 |
| PolarSurfaceArea | 131.68 |
| Druglikeness | 0.51276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide
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