(2E)-N-(4-fluorophenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
Formula:C21H16N3O2FS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-N-(4-fluorophenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide is a drug-like molecule.
| MolName | (2E)-N-(4-fluorophenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide |
| MolecularFormula | C21H16N3O2FS3 |
| Smiles | O=C(/C=C(\C(N1Cc2cccs2)=O)/S/C1=N\Cc1cccs1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C21H16FN3O2S3/c22-14-5-7-15(8-6-14)24-19(26)11-18-20(27)25(13-17-4-2-10-29-17)21(30-18)23-12-16-3-1-9-28-16/h1-11H,12-13H2,(H,24,26) |
| InChIK | LSCRSDANVXZBRR-UHFFFAOYSA-N |
| TotalMolweight | 457.573 |
| Molweight | 457.573 |
| MonoisotopicMass | 457.038865 |
| CLogP | 3.8086 |
| CLogS | -5.569 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 327.46 |
| Relative PSA | 0.33839 |
| PolarSurfaceArea | 143.55 |
| Druglikeness | 3.0831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-N-(4-fluorophenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide | 2 - (2E)-N-(4-fluorophenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off