N-[(Z)-[1-(naphthalen-1-ylmethyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C23H18N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(naphthalen-1-ylmethyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-(naphthalen-1-ylmethyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C23H18N4S |
| Smiles | C(c1cccc2ccccc12)n1c(/C=N\Nc2nc(cccc3)c3s2)ccc1 |
| InChI | InChI=1S/C23H18N4S/c1-2-11-20-17(7-1)8-5-9-18(20)16-27-14-6-10-19(27)15-24-26-23-25-21-12-3-4-13-22(21)28-23/h1-15H,16H2,(H,25,26) |
| InChIK | GQQQNOFNEMKQQG-UHFFFAOYSA-N |
| TotalMolweight | 382.49 |
| Molweight | 382.49 |
| MonoisotopicMass | 382.125216 |
| CLogP | 7.1045 |
| CLogS | -5.223 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.86 |
| Relative PSA | 0.20675 |
| PolarSurfaceArea | 70.45 |
| Druglikeness | 4.9457 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-(naphthalen-1-ylmethyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[1-(naphthalen-1-ylmethyl)pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off