(5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H6N4O4ClF3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H6N4O4ClF3S2 |
| Smiles | [O-][N+](c1ccc(/C=C(/C(N2Nc(ncc(C(F)(F)F)c3)c3Cl)=O)\SC2=S)o1)=O |
| InChI | InChI=1S/C14H6ClF3N4O4S2/c15-8-3-6(14(16,17)18)5-19-11(8)20-21-12(23)9(28-13(21)27)4-7-1-2-10(26-7)22(24)25/h1-5H,(H,19,20) |
| InChIK | FBHZXPJDDLYYHP-UHFFFAOYSA-N |
| TotalMolweight | 450.805 |
| Molweight | 450.805 |
| MonoisotopicMass | 449.947107 |
| CLogP | 2.3634 |
| CLogS | -6.023 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 290.94 |
| Relative PSA | 0.44353 |
| PolarSurfaceArea | 161.58 |
| Druglikeness | -7.0374 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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