N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C15H11N5OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C15H11N5OClF3S |
| Smiles | O=C(CNc1cc(C(F)(F)F)ccc1)N/N=C\c(n(ccs1)c1n1)c1Cl |
| InChI | InChI=1S/C15H11ClF3N5OS/c16-13-11(24-4-5-26-14(24)22-13)7-21-23-12(25)8-20-10-3-1-2-9(6-10)15(17,18)19/h1-7,20H,8H2,(H,23,25) |
| InChIK | NYAQJZIAOJXMGO-UHFFFAOYSA-N |
| TotalMolweight | 401.799 |
| Molweight | 401.799 |
| MonoisotopicMass | 401.032491 |
| CLogP | 3.1724 |
| CLogS | -3.595 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 277.04 |
| Relative PSA | 0.31313 |
| PolarSurfaceArea | 99.03 |
| Druglikeness | -0.99718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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