6HR

3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol

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

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count17
2D diagram of 6HR

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Chemical Component Summary

Name3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol
Systematic Name (OpenEye OEToolkits)3-[2-[[4-methyl-3-(2-methylphenyl)phenyl]amino]-1,3-thiazol-4-yl]propan-1-ol
FormulaC20 H22 N2 O S
Molecular Weight338.466
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1ccccc1c2c(ccc(c2)Nc3nc(CCCO)cs3)C
SMILESCACTVS3.385Cc1ccccc1c2cc(Nc3scc(CCCO)n3)ccc2C
SMILESOpenEye OEToolkits2.0.4Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO
Canonical SMILESCACTVS3.385 Cc1ccccc1c2cc(Nc3scc(CCCO)n3)ccc2C
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO
InChIInChI1.03 InChI=1S/C20H22N2OS/c1-14-6-3-4-8-18(14)19-12-16(10-9-15(19)2)21-20-22-17(13-24-20)7-5-11-23/h3-4,6,8-10,12-13,23H,5,7,11H2,1-2H3,(H,21,22)
InChIKeyInChI1.03 KHYLEUBWCWVZDG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3819367
PubChem 119057483
ChEMBL CHEMBL3819367