(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one
Formula:C24H20N3OFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one |
| MolecularFormula | C24H20N3OFS |
| Smiles | O=C1N=C(N(CC2)CCN2c(cccc2)c2F)S/C1=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C24H20FN3OS/c25-20-10-3-4-11-21(20)27-12-14-28(15-13-27)24-26-23(29)22(30-24)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11,16H,12-15H2 |
| InChIK | HWNVQXTVEGCCDT-UHFFFAOYSA-N |
| TotalMolweight | 417.507 |
| Molweight | 417.507 |
| MonoisotopicMass | 417.13111 |
| CLogP | 4.4848 |
| CLogS | -6.177 |
| H Acceptors | 4 |
| TotalSurfaceArea | 305.53 |
| Relative PSA | 0.16084 |
| PolarSurfaceArea | 61.21 |
| Druglikeness | 4.9558 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one | 2 - (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one
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