(6Z)-6-benzylidene-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C15H9N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-benzylidene-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6Z)-6-benzylidene-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C15H9N3OS2 |
| Smiles | O=C(/C(/S1)=C/c2ccccc2)n2c1nnc2-c1cccs1 |
| InChI | InChI=1S/C15H9N3OS2/c19-14-12(9-10-5-2-1-3-6-10)21-15-17-16-13(18(14)15)11-7-4-8-20-11/h1-9H |
| InChIK | JWBIWVFNCJPTCB-UHFFFAOYSA-N |
| TotalMolweight | 311.388 |
| Molweight | 311.388 |
| MonoisotopicMass | 311.018702 |
| CLogP | 3.343 |
| CLogS | -4.94 |
| H Acceptors | 4 |
| TotalSurfaceArea | 221.89 |
| Relative PSA | 0.35919 |
| PolarSurfaceArea | 101.32 |
| Druglikeness | 4.7117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (6Z)-6-benzylidene-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-6-benzylidene-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
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