(6Z)-6-[(4-chlorophenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C15H8N3OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[(4-chlorophenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6Z)-6-[(4-chlorophenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C15H8N3OClS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Cl)n2c1nnc2-c1cccs1 |
| InChI | InChI=1S/C15H8ClN3OS2/c16-10-5-3-9(4-6-10)8-12-14(20)19-13(11-2-1-7-21-11)17-18-15(19)22-12/h1-8H |
| InChIK | TVYZMIHEEAMWDW-UHFFFAOYSA-N |
| TotalMolweight | 345.834 |
| Molweight | 345.834 |
| MonoisotopicMass | 344.979729 |
| CLogP | 3.949 |
| CLogS | -5.676 |
| H Acceptors | 4 |
| TotalSurfaceArea | 237.31 |
| Relative PSA | 0.33585 |
| PolarSurfaceArea | 101.32 |
| Druglikeness | 4.7545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-[(4-chlorophenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-6-[(4-chlorophenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
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