2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C18H15N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C18H15N3OS2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H15N3OS2/c22-17(21-19-12-6-9-14-7-2-1-3-8-14)13-23-18-20-15-10-4-5-11-16(15)24-18/h1-12H,13H2,(H,21,22) |
| InChIK | IFKYKGJHXRRTER-UHFFFAOYSA-N |
| TotalMolweight | 353.469 |
| Molweight | 353.469 |
| MonoisotopicMass | 353.065652 |
| CLogP | 3.9346 |
| CLogS | -5.391 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.04 |
| Relative PSA | 0.30955 |
| PolarSurfaceArea | 107.89 |
| Druglikeness | 4.8221 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| 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)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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