6HV

(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone

Created:2016-04-12
Last modified:  2016-05-25

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count17
2D diagram of 6HV

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Chemical Component Summary

Name(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone
Systematic Name (OpenEye OEToolkits)[4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone
FormulaC18 H15 N O S
Molecular Weight293.383
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1ccccc1c3c(ccc(C(=O)c2nccs2)c3)C
SMILESCACTVS3.385Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3
SMILESOpenEye OEToolkits2.0.4Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3
Canonical SMILESCACTVS3.385 Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3
InChIInChI1.03 InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3
InChIKeyInChI1.03 WEOQMVQEKRDUIM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 119057481
ChEMBL CHEMBL3819446