(5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
Formula:C18H16N3OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one |
| MolecularFormula | C18H16N3OClS2 |
| Smiles | O=C1N=C(N(CC2)CCN2c2cccc(Cl)c2)S/C1=C/c1cccs1 |
| InChI | InChI=1S/C18H16ClN3OS2/c19-13-3-1-4-14(11-13)21-6-8-22(9-7-21)18-20-17(23)16(25-18)12-15-5-2-10-24-15/h1-5,10-12H,6-9H2 |
| InChIK | DDEYIRDVKLBIOS-UHFFFAOYSA-N |
| TotalMolweight | 389.93 |
| Molweight | 389.93 |
| MonoisotopicMass | 389.042329 |
| CLogP | 3.6622 |
| CLogS | -5.003 |
| H Acceptors | 4 |
| TotalSurfaceArea | 275.94 |
| Relative PSA | 0.25187 |
| PolarSurfaceArea | 89.45 |
| Druglikeness | 6.7419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one | 2 - (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
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