6-phenyl-5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]imidazo[2,1-b][1,3]thiazole
Formula:C16H12N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-phenyl-5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]imidazo[2,1-b][1,3]thiazole is a drug-like molecule.
| MolName | 6-phenyl-5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]imidazo[2,1-b][1,3]thiazole |
| MolecularFormula | C16H12N4S |
| Smiles | C(c1ccn[nH]1)=C/c1c(-c2ccccc2)nc2sccn12 |
| InChI | InChI=1S/C16H12N4S/c1-2-4-12(5-3-1)15-14(7-6-13-8-9-17-19-13)20-10-11-21-16(20)18-15/h1-11H,(H,17,19) |
| InChIK | YLKIXQUPYKAWAB-UHFFFAOYSA-N |
| TotalMolweight | 292.365 |
| Molweight | 292.365 |
| MonoisotopicMass | 292.078266 |
| CLogP | 2.6916 |
| CLogS | -2.902 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.56 |
| Relative PSA | 0.2823 |
| PolarSurfaceArea | 74.22 |
| Druglikeness | 3.9585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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