(Z)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine
Formula:C17H18N5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine |
| MolecularFormula | C17H18N5Cl2S |
| Smiles | Clc1c(/C=N\N2CC[NH+](Cc(cc3)ccc3Cl)CC2)n(ccs2)c2n1 |
| InChI | InChI=1S/C17H17Cl2N5S/c18-14-3-1-13(2-4-14)12-22-5-7-23(8-6-22)20-11-15-16(19)21-17-24(15)9-10-25-17/h1-4,9-11H,5-8,12H2/p+1 |
| InChIK | VOKGPRNEVKMJNV-UHFFFAOYSA-O |
| TotalMolweight | 395.337 |
| Molweight | 395.337 |
| MonoisotopicMass | 394.065994 |
| CLogP | 1.3459 |
| CLogS | -2.666 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.51 |
| Relative PSA | 0.24096 |
| PolarSurfaceArea | 65.58 |
| Druglikeness | 4.9232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine | 2 - (Z)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine
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