(Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
Formula:C16H9N2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C16H9N2BrS2 |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C/c1cccs1 |
| InChI | InChI=1S/C16H9BrN2S2/c17-13-5-3-11(4-6-13)15-10-21-16(19-15)12(9-18)8-14-2-1-7-20-14/h1-8,10H |
| InChIK | FJYSXYFSKKFNNJ-UHFFFAOYSA-N |
| TotalMolweight | 373.297 |
| Molweight | 373.297 |
| MonoisotopicMass | 371.939049 |
| CLogP | 4.5047 |
| CLogS | -5.281 |
| H Acceptors | 2 |
| TotalSurfaceArea | 248.47 |
| Relative PSA | 0.26261 |
| PolarSurfaceArea | 93.16 |
| Druglikeness | -2.8575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile | 2 - (Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off