N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
Formula:C16H10N3BrCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C16H10N3BrCl2S |
| Smiles | Clc(cc1)cc(Cl)c1-c1csc(N/N=C\c2cccc(Br)c2)n1 |
| InChI | InChI=1S/C16H10BrCl2N3S/c17-11-3-1-2-10(6-11)8-20-22-16-21-15(9-23-16)13-5-4-12(18)7-14(13)19/h1-9H,(H,21,22) |
| InChIK | VQRATKFZUBQMEW-UHFFFAOYSA-N |
| TotalMolweight | 427.152 |
| Molweight | 427.152 |
| MonoisotopicMass | 424.915582 |
| CLogP | 8.1536 |
| CLogS | -6.966 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 273.17 |
| Relative PSA | 0.19878 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.2161 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| 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)-(3-bromophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off