(2Z)-5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
Formula:C23H15N3OS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(2Z)-5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one is a drug-like molecule.
| MolName | (2Z)-5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one |
| MolecularFormula | C23H15N3OS |
| Smiles | O=C(/C(/S1)=C/c2cnccc2)n2c1nc(-c1ccccc1)c2-c1ccccc1 |
| InChI | InChI=1S/C23H15N3OS/c27-22-19(14-16-8-7-13-24-15-16)28-23-25-20(17-9-3-1-4-10-17)21(26(22)23)18-11-5-2-6-12-18/h1-15H |
| InChIK | HSXWAMBEHDBSJD-UHFFFAOYSA-N |
| TotalMolweight | 381.458 |
| Molweight | 381.458 |
| MonoisotopicMass | 381.093582 |
| CLogP | 4.5663 |
| CLogS | -5.5 |
| H Acceptors | 4 |
| TotalSurfaceArea | 285.71 |
| Relative PSA | 0.20769 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 3.572 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (2Z)-5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one | 2 - (2Z)-5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
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