2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
Formula:C18H13N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole |
| MolecularFormula | C18H13N3OS2 |
| Smiles | C(c1nnc(/C=C/c2ccccc2)o1)Sc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C18H13N3OS2/c1-2-6-13(7-3-1)10-11-16-20-21-17(22-16)12-23-18-19-14-8-4-5-9-15(14)24-18/h1-11H,12H2 |
| InChIK | CDOPEENIDLCQFS-UHFFFAOYSA-N |
| TotalMolweight | 351.453 |
| Molweight | 351.453 |
| MonoisotopicMass | 351.050002 |
| CLogP | 4.291 |
| CLogS | -5.169 |
| H Acceptors | 4 |
| TotalSurfaceArea | 267.04 |
| Relative PSA | 0.31782 |
| PolarSurfaceArea | 105.35 |
| Druglikeness | 1.1538 |
| 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 | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole | 2 - 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
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