O1Z

[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone

Created:	2011-03-29
Last modified:	2012-10-26

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1 entries where O1Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	16

2D diagram of O1Z

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Chemical Component Summary
Name	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
Systematic Name (OpenEye OEToolkits)	[4-azanyl-2-(cyclohexylamino)-1,3-thiazol-5-yl]-naphthalen-2-yl-methanone
Formula	C₂₀ H₂₁ N₃ O S
Molecular Weight	351.465
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1sc(nc1N)NC2CCCCC2)c4cc3ccccc3cc4
SMILES	CACTVS	3.370	Nc1nc(NC2CCCCC2)sc1C(=O)c3ccc4ccccc4c3
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N
Canonical SMILES	CACTVS	3.370	Nc1nc(NC2CCCCC2)sc1C(=O)c3ccc4ccccc4c3
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N
InChI	InChI	1.03	InChI=1S/C20H21N3OS/c21-19-18(25-20(23-19)22-16-8-2-1-3-9-16)17(24)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,16H,1-3,8-9,21H2,(H,22,23)
InChIKey	InChI	1.03	SVWJDTLRFATPCQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137349819

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.