(5Z)-2-[(E)-2-phenylethenyl]-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C18H12N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-[(E)-2-phenylethenyl]-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.
| MolName | (5Z)-2-[(E)-2-phenylethenyl]-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C18H12N4OS |
| Smiles | O=C1n2nc(/C=C/c3ccccc3)nc2S/C1=C\c1ccncc1 |
| InChI | InChI=1S/C18H12N4OS/c23-17-15(12-14-8-10-19-11-9-14)24-18-20-16(21-22(17)18)7-6-13-4-2-1-3-5-13/h1-12H |
| InChIK | ZRKPZHOCJVTNRA-UHFFFAOYSA-N |
| TotalMolweight | 332.386 |
| Molweight | 332.386 |
| MonoisotopicMass | 332.073181 |
| CLogP | 2.808 |
| CLogS | -4.03 |
| H Acceptors | 5 |
| TotalSurfaceArea | 251.21 |
| Relative PSA | 0.27989 |
| PolarSurfaceArea | 85.97 |
| Druglikeness | 4.4287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-2-[(E)-2-phenylethenyl]-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-[(E)-2-phenylethenyl]-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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