N-[(Z)-(4-fluorophenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
Formula:C21H13N5OF4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide |
| MolecularFormula | C21H13N5OF4S |
| Smiles | O=C(c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C21H13F4N5OS/c22-15-8-6-13(7-9-15)11-26-28-19(31)16-12-32-20(27-16)30-17(14-4-2-1-3-5-14)10-18(29-30)21(23,24)25/h1-12H,(H,28,31) |
| InChIK | GVXCSOUQLXAKJD-UHFFFAOYSA-N |
| TotalMolweight | 459.426 |
| Molweight | 459.426 |
| MonoisotopicMass | 459.077692 |
| CLogP | 4.8541 |
| CLogS | -5.296 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.98 |
| Relative PSA | 0.26211 |
| PolarSurfaceArea | 100.41 |
| Druglikeness | -4.2745 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-fluorophenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide | 2 - N-[(Z)-(4-fluorophenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
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