5-[(2Z)-2-[(2-chloro-6-fluorophenyl)methoxyimino]ethyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile
Formula:C19H10N4OCl2F4S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
5-[(2Z)-2-[(2-chloro-6-fluorophenyl)methoxyimino]ethyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile is not a drug-like molecule.
| MolName | 5-[(2Z)-2-[(2-chloro-6-fluorophenyl)methoxyimino]ethyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile |
| MolecularFormula | C19H10N4OCl2F4S2 |
| Smiles | N#Cc1c(C/C=N\OCc(c(F)ccc2)c2Cl)snc1Sc(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C19H10Cl2F4N4OS2/c20-13-2-1-3-15(22)12(13)9-30-28-5-4-16-11(7-26)17(29-32-16)31-18-14(21)6-10(8-27-18)19(23,24)25/h1-3,5-6,8H,4,9H2 |
| InChIK | GJAQSWVFYUZJGE-UHFFFAOYSA-N |
| TotalMolweight | 521.345 |
| Molweight | 521.345 |
| MonoisotopicMass | 519.960917 |
| CLogP | 5.8925 |
| CLogS | -5.733 |
| H Acceptors | 5 |
| TotalSurfaceArea | 354.37 |
| Relative PSA | 0.26769 |
| PolarSurfaceArea | 124.7 |
| Druglikeness | -9.2052 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 5-[(2Z)-2-[(2-chloro-6-fluorophenyl)methoxyimino]ethyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile | 2 - 5-[(2Z)-2-[(2-chloro-6-fluorophenyl)methoxyimino]ethyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile
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