N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C12H8N3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C12H8N3BrS2 |
| Smiles | Brc1ccc(/C=N\Nc2nc(cccc3)c3s2)s1 |
| InChI | InChI=1S/C12H8BrN3S2/c13-11-6-5-8(17-11)7-14-16-12-15-9-3-1-2-4-10(9)18-12/h1-7H,(H,15,16) |
| InChIK | WQYXRFGIGZYALW-UHFFFAOYSA-N |
| TotalMolweight | 338.253 |
| Molweight | 338.253 |
| MonoisotopicMass | 336.934298 |
| CLogP | 6.4398 |
| CLogS | -4.977 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.11 |
| Relative PSA | 0.35034 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 0.36348 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off