(2E)-2-[[4-(trifluoromethyl)anilino]methylidene]-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3,5-dione
Formula:C14H11N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[[4-(trifluoromethyl)anilino]methylidene]-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3,5-dione is a drug-like molecule.
| MolName | (2E)-2-[[4-(trifluoromethyl)anilino]methylidene]-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3,5-dione |
| MolecularFormula | C14H11N2O2F3S |
| Smiles | O=C(CCC1S/C2=C/Nc3ccc(C(F)(F)F)cc3)N1C2=O |
| InChI | InChI=1S/C14H11F3N2O2S/c15-14(16,17)8-1-3-9(4-2-8)18-7-10-13(21)19-11(20)5-6-12(19)22-10/h1-4,7,12,18H,5-6H2/t12-/m0/s1 |
| InChIK | VRONHBPHCJBRMR-LBPRGKRZSA-N |
| TotalMolweight | 328.313 |
| Molweight | 328.313 |
| MonoisotopicMass | 328.049332 |
| CLogP | 2.5672 |
| CLogS | -3.602 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.2 |
| Relative PSA | 0.27221 |
| PolarSurfaceArea | 74.71 |
| Druglikeness | -4.8515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2E)-2-[[4-(trifluoromethyl)anilino]methylidene]-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3,5-dione | 2 - (2E)-2-[[4-(trifluoromethyl)anilino]methylidene]-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3,5-dione
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