N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine
Formula:C16H13N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C16H13N3S |
| Smiles | C(/C=N\Nc1nc(cccc2)c2s1)=C/c1ccccc1 |
| InChI | InChI=1S/C16H13N3S/c1-2-7-13(8-3-1)9-6-12-17-19-16-18-14-10-4-5-11-15(14)20-16/h1-12H,(H,18,19) |
| InChIK | JUFTZTOABUZIDE-UHFFFAOYSA-N |
| TotalMolweight | 279.366 |
| Molweight | 279.366 |
| MonoisotopicMass | 279.083017 |
| CLogP | 5.6616 |
| CLogS | -4.408 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 225.04 |
| Relative PSA | 0.24129 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.5934 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off