2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C16H13N5O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C16H13N5O2S2 |
| Smiles | O=C(CN(C1=O)N=C2N1c(cccc1)c1SC2)N/N=C\c1cccs1 |
| InChI | InChI=1S/C16H13N5O2S2/c22-15(18-17-8-11-4-3-7-24-11)9-20-16(23)21-12-5-1-2-6-13(12)25-10-14(21)19-20/h1-8H,9-10H2,(H,18,22) |
| InChIK | WYTLVKZOCFDLHC-UHFFFAOYSA-N |
| TotalMolweight | 371.444 |
| Molweight | 371.444 |
| MonoisotopicMass | 371.051065 |
| CLogP | 1.5468 |
| CLogS | -5.083 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 262.26 |
| Relative PSA | 0.40231 |
| PolarSurfaceArea | 130.91 |
| Druglikeness | 8.3282 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off