N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
Formula:C23H20N3O2ClS4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is not a drug-like molecule.
| MolName | N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide |
| MolecularFormula | C23H20N3O2ClS4 |
| Smiles | O=C(CCCCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)Nc1nc(-c(cc2)ccc2Cl)cs1 |
| InChI | InChI=1S/C23H20ClN3O2S4/c24-16-9-7-15(8-10-16)18-14-32-22(25-18)26-20(28)6-2-1-3-11-27-21(29)19(33-23(27)30)13-17-5-4-12-31-17/h4-5,7-10,12-14H,1-3,6,11H2,(H,25,26,28) |
| InChIK | WPZVRXNFKWLWGJ-UHFFFAOYSA-N |
| TotalMolweight | 534.148 |
| Molweight | 534.148 |
| MonoisotopicMass | 533.012684 |
| CLogP | 5.8552 |
| CLogS | -7.749 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 386.31 |
| Relative PSA | 0.35792 |
| PolarSurfaceArea | 176.17 |
| Druglikeness | -1.9317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide | 2 - N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off