N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide
Formula:C14H8N4OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C14H8N4OClF3S |
| Smiles | O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c(n(ccs1)c1n1)c1Cl |
| InChI | InChI=1S/C14H8ClF3N4OS/c15-11-10(22-5-6-24-13(22)20-11)7-19-21-12(23)8-1-3-9(4-2-8)14(16,17)18/h1-7H,(H,21,23) |
| InChIK | CMXHPFTWLPTILK-UHFFFAOYSA-N |
| TotalMolweight | 372.758 |
| Molweight | 372.758 |
| MonoisotopicMass | 372.005942 |
| CLogP | 3.8805 |
| CLogS | -3.773 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.82 |
| Relative PSA | 0.29898 |
| PolarSurfaceArea | 87 |
| Druglikeness | -1.57 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide | 2 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide
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