O0J

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide

Created:	2019-06-04
Last modified:	2019-08-21

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6 entries where O0J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	11

2D diagram of O0J

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Chemical Component Summary
Name	N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]ethanamide
Formula	C₁₁ H₁₁ N₃ O S
Molecular Weight	233.29
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc2nc(c1ccc(cc1)NC(C)=O)cs2
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2csc(N)n2
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)Nc1ccc(cc1)c2csc(n2)N
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2csc(N)n2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)Nc1ccc(cc1)c2csc(n2)N
InChI	InChI	1.03	InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)
InChIKey	InChI	1.03	VBBNSESFUHRMJU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	519881

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.