| MolName | (5Z)-5-[(4-bromophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one |
| MolecularFormula | C13H8N3OBrS2 |
| Smiles | N=C(N(C1=O)c2nccs2)S/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C13H8BrN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)17(12(15)20-10)13-16-5-6-19-13/h1-7,15H |
| InChIK | SKOWIDIIIHFYKG-UHFFFAOYSA-N |
| TotalMolweight | 366.263 |
| Molweight | 366.263 |
| MonoisotopicMass | 364.929213 |
| CLogP | 3.189 |
| CLogS | -4.379 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.41 |
| Relative PSA | 0.36261 |
| PolarSurfaceArea | 110.59 |
| Druglikeness | 2.2274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-bromophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-bromophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one