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Summary Geometry Related PDB entries

6JG

Summary

Name:	N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide
Formula:	C20 H15 N3 O2 S
Formal charge:	0
Formula weight:	361.417 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide
OpenEye OEToolkits	2.0.4	~{N}-[4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1Oc2ccccc2c4nc3ccncc3s4)NC(=O)C
InChI	InChI	1.03	InChI=1S/C20H15N3O2S/c1-13(24)22-14-6-8-15(9-7-14)25-18-5-3-2-4-16(18)20-23-17-10-11-21-12-19(17)26-20/h2-12H,1H3,(H,22,24)
InChIKey	InChI	1.03	OPOGWEXFOKBMCJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)Nc1ccc(Oc2ccccc2c3sc4cnccc4n3)cc1
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(Oc2ccccc2c3sc4cnccc4n3)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3
SMILES	OpenEye OEToolkits	2.0.4	CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3

225946

PDB entries from 2024-10-09

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