[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3-(trifluoromethyl)benzoate
Formula:C20H12N3O2F3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3-(trifluoromethyl)benzoate is not a drug-like molecule.
| MolName | [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C20H12N3O2F3S |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)O/N=C\c1c(-c2ccccc2)nc2sccn12 |
| InChI | InChI=1S/C20H12F3N3O2S/c21-20(22,23)15-8-4-7-14(11-15)18(27)28-24-12-16-17(13-5-2-1-3-6-13)25-19-26(16)9-10-29-19/h1-12H |
| InChIK | HLNUYBFOLXFRKG-UHFFFAOYSA-N |
| TotalMolweight | 415.394 |
| Molweight | 415.394 |
| MonoisotopicMass | 415.060231 |
| CLogP | 5.6438 |
| CLogS | -5.102 |
| H Acceptors | 5 |
| TotalSurfaceArea | 294.7 |
| Relative PSA | 0.25053 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | -8.1877 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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