(5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H13N3O2ClF3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H13N3O2ClF3S2 |
| Smiles | O=C(/C(/SC1=S)=C/c2cc(Oc3ccccc3)ccc2)N1Nc(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C22H13ClF3N3O2S2/c23-17-11-14(22(24,25)26)12-27-19(17)28-29-20(30)18(33-21(29)32)10-13-5-4-8-16(9-13)31-15-6-2-1-3-7-15/h1-12H,(H,27,28) |
| InChIK | TWQWDLODXLXDJZ-UHFFFAOYSA-N |
| TotalMolweight | 507.943 |
| Molweight | 507.943 |
| MonoisotopicMass | 507.008978 |
| CLogP | 5.3109 |
| CLogS | -7.653 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 347.34 |
| Relative PSA | 0.2721 |
| PolarSurfaceArea | 111.85 |
| Druglikeness | -3.7671 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off