(Z)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-phenylprop-2-enenitrile
Formula:C20H12N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-phenylprop-2-enenitrile |
| MolecularFormula | C20H12N3ClS |
| Smiles | N#C/C(/c1ccccc1)=C\c1c(-c(cc2)ccc2Cl)nc2sccn12 |
| InChI | InChI=1S/C20H12ClN3S/c21-17-8-6-15(7-9-17)19-18(24-10-11-25-20(24)23-19)12-16(13-22)14-4-2-1-3-5-14/h1-12H |
| InChIK | IYUWPXJWSPADAQ-UHFFFAOYSA-N |
| TotalMolweight | 361.855 |
| Molweight | 361.855 |
| MonoisotopicMass | 361.044044 |
| CLogP | 4.816 |
| CLogS | -4.918 |
| H Acceptors | 3 |
| TotalSurfaceArea | 274.57 |
| Relative PSA | 0.19245 |
| PolarSurfaceArea | 69.33 |
| Druglikeness | -2.5172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-phenylprop-2-enenitrile | 2 - (Z)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-phenylprop-2-enenitrile
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