2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C15H11N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C15H11N4OF3S |
| Smiles | O=C(Cc1cn(ccs2)c2n1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C15H11F3N4OS/c16-15(17,18)11-3-1-10(2-4-11)8-19-21-13(23)7-12-9-22-5-6-24-14(22)20-12/h1-6,8-9H,7H2,(H,21,23) |
| InChIK | KYWIQCLMBKIQNR-UHFFFAOYSA-N |
| TotalMolweight | 352.339 |
| Molweight | 352.339 |
| MonoisotopicMass | 352.060565 |
| CLogP | 3.1752 |
| CLogS | -3.239 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.16 |
| Relative PSA | 0.30097 |
| PolarSurfaceArea | 87 |
| Druglikeness | -1.6671 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off