[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] benzoate
Formula:C19H13N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] benzoate is a drug-like molecule.
| MolName | [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] benzoate |
| MolecularFormula | C19H13N3O2S |
| Smiles | O=C(c1ccccc1)O/N=C\c1c(-c2ccccc2)nc2sccn12 |
| InChI | InChI=1S/C19H13N3O2S/c23-18(15-9-5-2-6-10-15)24-20-13-16-17(14-7-3-1-4-8-14)21-19-22(16)11-12-25-19/h1-13H |
| InChIK | BEQWUMLZDPCETJ-UHFFFAOYSA-N |
| TotalMolweight | 347.397 |
| Molweight | 347.397 |
| MonoisotopicMass | 347.072847 |
| CLogP | 4.7955 |
| CLogS | -4.324 |
| H Acceptors | 5 |
| TotalSurfaceArea | 265.24 |
| Relative PSA | 0.27835 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | -0.99774 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] benzoate | 2 - [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off