2-[(2E)-2-(4-aminophenyl)sulfonylimino-1,3-thiazol-3-yl]acetamide
Formula:C11H12N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2E)-2-(4-aminophenyl)sulfonylimino-1,3-thiazol-3-yl]acetamide is a drug-like molecule.
| MolName | 2-[(2E)-2-(4-aminophenyl)sulfonylimino-1,3-thiazol-3-yl]acetamide |
| MolecularFormula | C11H12N4O3S2 |
| Smiles | NC(CN(C=CS1)/C1=N\S(c(cc1)ccc1N)(=O)=O)=O |
| InChI | InChI=1S/C11H12N4O3S2/c12-8-1-3-9(4-2-8)20(17,18)14-11-15(5-6-19-11)7-10(13)16/h1-6H,7,12H2,(H2,13,16) |
| InChIK | KXFIHCIBCARSPG-UHFFFAOYSA-N |
| TotalMolweight | 312.373 |
| Molweight | 312.373 |
| MonoisotopicMass | 312.035081 |
| CLogP | -0.4407 |
| CLogS | -2.392 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 214.15 |
| Relative PSA | 0.48896 |
| PolarSurfaceArea | 152.53 |
| Druglikeness | 6.0158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(2E)-2-(4-aminophenyl)sulfonylimino-1,3-thiazol-3-yl]acetamide | 2 - 2-[(2E)-2-(4-aminophenyl)sulfonylimino-1,3-thiazol-3-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off