| MolName | (5Z)-2-amino-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C19H13N4OFS |
| Smiles | NC(S/C1=C\c2cn(-c3ccccc3)nc2-c(cc2)ccc2F)=NC1=O |
| InChI | InChI=1S/C19H13FN4OS/c20-14-8-6-12(7-9-14)17-13(10-16-18(25)22-19(21)26-16)11-24(23-17)15-4-2-1-3-5-15/h1-11H,(H2,21,22,25) |
| InChIK | LKDSSFDMFWCZIR-UHFFFAOYSA-N |
| TotalMolweight | 364.403 |
| Molweight | 364.403 |
| MonoisotopicMass | 364.079409 |
| CLogP | 2.0178 |
| CLogS | -5.116 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.03 |
| Relative PSA | 0.28355 |
| PolarSurfaceArea | 98.57 |
| Druglikeness | 3.2653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-amino-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one