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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1 entries where 6HR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	17

2D diagram of 6HR

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Chemical Component Summary
Name	3-{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
Formula	C₂₀ H₂₂ N₂ O S
Molecular Weight	338.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccccc1c2c(ccc(c2)Nc3nc(CCCO)cs3)C
SMILES	CACTVS	3.385	Cc1ccccc1c2cc(Nc3scc(CCCO)n3)ccc2C
SMILES	OpenEye OEToolkits	2.0.4	Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO
Canonical SMILES	CACTVS	3.385	Cc1ccccc1c2cc(Nc3scc(CCCO)n3)ccc2C
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	KHYLEUBWCWVZDG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3819367
PubChem	119057483
ChEMBL	CHEMBL3819367

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.