N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxamide
Formula:C18H13N5OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxamide |
| MolecularFormula | C18H13N5OCl2S |
| Smiles | O=C(c1csc(N/N=C\c(cccc2)c2Cl)n1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C18H13Cl2N5OS/c19-14-7-3-1-5-12(14)9-21-24-17(26)16-11-27-18(23-16)25-22-10-13-6-2-4-8-15(13)20/h1-11H,(H,23,25)(H,24,26) |
| InChIK | ZNXJXHHJGQRQIE-UHFFFAOYSA-N |
| TotalMolweight | 418.307 |
| Molweight | 418.307 |
| MonoisotopicMass | 417.021784 |
| CLogP | 7.2742 |
| CLogS | -6.483 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 308.51 |
| Relative PSA | 0.29273 |
| PolarSurfaceArea | 106.98 |
| Druglikeness | 6.286 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off