2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenoxy]-N-(1,3-thiazol-2-yl)acetamide
Formula:C15H10N4O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenoxy]-N-(1,3-thiazol-2-yl)acetamide is a drug-like molecule.
| MolName | 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenoxy]-N-(1,3-thiazol-2-yl)acetamide |
| MolecularFormula | C15H10N4O6S2 |
| Smiles | [O-][N+](c(cc1)cc(/C=C(/C(N2)=O)\SC2=O)c1OCC(Nc1nccs1)=O)=O |
| InChI | InChI=1S/C15H10N4O6S2/c20-12(17-14-16-3-4-26-14)7-25-10-2-1-9(19(23)24)5-8(10)6-11-13(21)18-15(22)27-11/h1-6H,7H2,(H,16,17,20)(H,18,21,22) |
| InChIK | GKBCJXHAJJVXKT-UHFFFAOYSA-N |
| TotalMolweight | 406.398 |
| Molweight | 406.398 |
| MonoisotopicMass | 406.004176 |
| CLogP | 0.9155 |
| CLogS | -4.634 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 280.02 |
| Relative PSA | 0.54025 |
| PolarSurfaceArea | 196.75 |
| Druglikeness | -1.5042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione; limit! thiazol-2-ylamine |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenoxy]-N-(1,3-thiazol-2-yl)acetamide | 2 - 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenoxy]-N-(1,3-thiazol-2-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off