N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
Formula:C19H14N4OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide |
| MolecularFormula | C19H14N4OClF3S |
| Smiles | O=C(Cc1csc(Nc2cc(C(F)(F)F)ccc2)n1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H14ClF3N4OS/c20-14-6-4-12(5-7-14)10-24-27-17(28)9-16-11-29-18(26-16)25-15-3-1-2-13(8-15)19(21,22)23/h1-8,10-11H,9H2,(H,25,26)(H,27,28) |
| InChIK | VIMSJCVLLFDUTE-UHFFFAOYSA-N |
| TotalMolweight | 438.86 |
| Molweight | 438.86 |
| MonoisotopicMass | 438.052892 |
| CLogP | 5.8637 |
| CLogS | -6.535 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 311.55 |
| Relative PSA | 0.25293 |
| PolarSurfaceArea | 94.62 |
| Druglikeness | -1.3853 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
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