4-[(Z)-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)hydrazinylidene]methyl]benzoic acid
Formula:C15H12N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C15H12N4O3S |
| Smiles | OC(c1ccc(/C=N\NC(Cc2cn(ccs3)c3n2)=O)cc1)=O |
| InChI | InChI=1S/C15H12N4O3S/c20-13(7-12-9-19-5-6-23-15(19)17-12)18-16-8-10-1-3-11(4-2-10)14(21)22/h1-6,8-9H,7H2,(H,18,20)(H,21,22) |
| InChIK | HSOJUIJQZSFTAN-UHFFFAOYSA-N |
| TotalMolweight | 328.351 |
| Molweight | 328.351 |
| MonoisotopicMass | 328.063011 |
| CLogP | 1.6416 |
| CLogS | -2.474 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 244.8 |
| Relative PSA | 0.41434 |
| PolarSurfaceArea | 124.3 |
| Druglikeness | 5.3725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(Z)-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)hydrazinylidene]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off