3-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H9N3O2S3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H9N3O2S3 |
| Smiles | O=C(CSC1=S)N1/N=C\c1ccc(-c2nc(cccc3)c3s2)o1 |
| InChI | InChI=1S/C15H9N3O2S3/c19-13-8-22-15(21)18(13)16-7-9-5-6-11(20-9)14-17-10-3-1-2-4-12(10)23-14/h1-7H,8H2 |
| InChIK | GVLCCHUWCSQBBB-UHFFFAOYSA-N |
| TotalMolweight | 359.453 |
| Molweight | 359.453 |
| MonoisotopicMass | 358.985687 |
| CLogP | 2.0537 |
| CLogS | -4.2 |
| H Acceptors | 5 |
| TotalSurfaceArea | 255.28 |
| Relative PSA | 0.46627 |
| PolarSurfaceArea | 144.33 |
| Druglikeness | 6.9255 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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