N-[(Z)-(4-bromophenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
Formula:C16H11N3BrClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C16H11N3BrClS |
| Smiles | Clc(cc1)ccc1-c1csc(N/N=C\c(cc2)ccc2Br)n1 |
| InChI | InChI=1S/C16H11BrClN3S/c17-13-5-1-11(2-6-13)9-19-21-16-20-15(10-22-16)12-3-7-14(18)8-4-12/h1-10H,(H,20,21) |
| InChIK | IUUBQJRLEOAUHC-UHFFFAOYSA-N |
| TotalMolweight | 392.707 |
| Molweight | 392.707 |
| MonoisotopicMass | 390.954555 |
| CLogP | 7.5476 |
| CLogS | -6.23 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 257.75 |
| Relative PSA | 0.21067 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.2161 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off