2-[(E)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
Formula:C22H15N3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole is a drug-like molecule.
| MolName | 2-[(E)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole |
| MolecularFormula | C22H15N3S2 |
| Smiles | C(c1cn(-c2ccccc2)nc1-c1cccs1)=C/c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C22H15N3S2/c1-2-7-17(8-3-1)25-15-16(22(24-25)20-11-6-14-26-20)12-13-21-23-18-9-4-5-10-19(18)27-21/h1-15H |
| InChIK | ZOOILFRIRQEIIM-UHFFFAOYSA-N |
| TotalMolweight | 385.514 |
| Molweight | 385.514 |
| MonoisotopicMass | 385.070737 |
| CLogP | 4.8163 |
| CLogS | -5.45 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.24 |
| Relative PSA | 0.23792 |
| PolarSurfaceArea | 87.19 |
| Druglikeness | 4.3711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-[(E)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole | 2 - 2-[(E)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
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