2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide
Formula:C15H15N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide |
| MolecularFormula | C15H15N3O2S2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C(\CCC1)/CC1=O |
| InChI | InChI=1S/C15H15N3O2S2/c19-11-5-3-4-10(8-11)17-18-14(20)9-21-15-16-12-6-1-2-7-13(12)22-15/h1-2,6-7H,3-5,8-9H2,(H,18,20) |
| InChIK | RAAUASOTTZKMTC-UHFFFAOYSA-N |
| TotalMolweight | 333.435 |
| Molweight | 333.435 |
| MonoisotopicMass | 333.060567 |
| CLogP | 2.9586 |
| CLogS | -4.613 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 245.28 |
| Relative PSA | 0.39901 |
| PolarSurfaceArea | 124.96 |
| Druglikeness | -0.53781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide
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