N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
Formula:C25H15N5OClF3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide |
| MolecularFormula | C25H15N5OClF3S |
| Smiles | O=C(c1csc(-n2nc(C(F)(F)F)cc2-c2cc3ccccc3cc2)n1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C25H15ClF3N5OS/c26-19-9-5-15(6-10-19)13-30-32-23(35)20-14-36-24(31-20)34-21(12-22(33-34)25(27,28)29)18-8-7-16-3-1-2-4-17(16)11-18/h1-14H,(H,32,35) |
| InChIK | MQJZFUAHLMTDKI-UHFFFAOYSA-N |
| TotalMolweight | 525.941 |
| Molweight | 525.941 |
| MonoisotopicMass | 525.063791 |
| CLogP | 6.5537 |
| CLogS | -7.324 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 368.65 |
| Relative PSA | 0.23106 |
| PolarSurfaceArea | 100.41 |
| Druglikeness | -4.2514 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
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