(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
Formula:C23H22N5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine |
| MolecularFormula | C23H22N5ClS |
| Smiles | Clc1c(/C=N\N(CC2)CCN2C(c2ccccc2)c2ccccc2)n(ccs2)c2n1 |
| InChI | InChI=1S/C23H22ClN5S/c24-22-20(29-15-16-30-23(29)26-22)17-25-28-13-11-27(12-14-28)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-17,21H,11-14H2 |
| InChIK | XQTGCZUZXPNZNE-UHFFFAOYSA-N |
| TotalMolweight | 435.982 |
| Molweight | 435.982 |
| MonoisotopicMass | 435.128442 |
| CLogP | 4.5654 |
| CLogS | -3.19 |
| H Acceptors | 5 |
| TotalSurfaceArea | 327.55 |
| Relative PSA | 0.17674 |
| PolarSurfaceArea | 64.38 |
| Druglikeness | 7.1839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine | 2 - (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
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