2-[(E)-2-thiophen-2-ylethenyl]-1,3-benzothiazole
Formula:C13H9NS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-thiophen-2-ylethenyl]-1,3-benzothiazole is a drug-like molecule.
| MolName | 2-[(E)-2-thiophen-2-ylethenyl]-1,3-benzothiazole |
| MolecularFormula | C13H9NS2 |
| Smiles | C(c1cccs1)=C/c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C13H9NS2/c1-2-6-12-11(5-1)14-13(16-12)8-7-10-4-3-9-15-10/h1-9H |
| InChIK | BWDGNWJHZJGREN-UHFFFAOYSA-N |
| TotalMolweight | 243.353 |
| Molweight | 243.353 |
| MonoisotopicMass | 243.017639 |
| CLogP | 3.7404 |
| CLogS | -4.026 |
| H Acceptors | 1 |
| TotalSurfaceArea | 184.76 |
| Relative PSA | 0.27977 |
| PolarSurfaceArea | 69.37 |
| Druglikeness | 1.8878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-thiophen-2-ylethenyl]-1,3-benzothiazole | 2 - 2-[(E)-2-thiophen-2-ylethenyl]-1,3-benzothiazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off