N-[(Z)-[1-(3-phenoxypropyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C21H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(3-phenoxypropyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-(3-phenoxypropyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C21H20N4OS |
| Smiles | C(Cn1c(/C=N\Nc2nc(cccc3)c3s2)ccc1)COc1ccccc1 |
| InChI | InChI=1S/C21H20N4OS/c1-2-9-18(10-3-1)26-15-7-14-25-13-6-8-17(25)16-22-24-21-23-19-11-4-5-12-20(19)27-21/h1-6,8-13,16H,7,14-15H2,(H,23,24) |
| InChIK | GZQJWTRXSIOWAC-UHFFFAOYSA-N |
| TotalMolweight | 376.483 |
| Molweight | 376.483 |
| MonoisotopicMass | 376.135781 |
| CLogP | 6.2817 |
| CLogS | -4.052 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.78 |
| Relative PSA | 0.2382 |
| PolarSurfaceArea | 79.68 |
| Druglikeness | 4.5032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-(3-phenoxypropyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[1-(3-phenoxypropyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off