N-[(E)-[3-[2-(1,3-benzothiazol-2-yl)hydrazinyl]cyclohex-3-en-1-ylidene]amino]-1,3-benzothiazol-2-amine
Formula:C20H18N6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[3-[2-(1,3-benzothiazol-2-yl)hydrazinyl]cyclohex-3-en-1-ylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-[3-[2-(1,3-benzothiazol-2-yl)hydrazinyl]cyclohex-3-en-1-ylidene]amino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C20H18N6S2 |
| Smiles | C(C/C(/C1)=N\Nc2nc(cccc3)c3s2)C=C1NNc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C20H18N6S2/c1-3-10-17-15(8-1)21-19(27-17)25-23-13-6-5-7-14(12-13)24-26-20-22-16-9-2-4-11-18(16)28-20/h1-4,6,8-11,23H,5,7,12H2,(H,21,25)(H,22,26) |
| InChIK | FNRGPNARNSDIIW-UHFFFAOYSA-N |
| TotalMolweight | 406.537 |
| Molweight | 406.537 |
| MonoisotopicMass | 406.103434 |
| CLogP | 7.5334 |
| CLogS | -5.757 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 301.46 |
| Relative PSA | 0.36008 |
| PolarSurfaceArea | 130.71 |
| Druglikeness | 0.7205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[3-[2-(1,3-benzothiazol-2-yl)hydrazinyl]cyclohex-3-en-1-ylidene]amino]-1,3-benzothiazol-2-amine | 2 - N-[(E)-[3-[2-(1,3-benzothiazol-2-yl)hydrazinyl]cyclohex-3-en-1-ylidene]amino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off