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7QQ : Summary

Code

7QQ

One-letter code

X

Molecule name

N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide

Formula

C10 H10 N2 O2 S

Formal charge

0

Molecular weight

222.264 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc2sc(NC(C)=O)nc2c1
SMILES OpenEye OEToolkits 1.7.6 CC(=O)Nc1nc2cc(ccc2s1)OC
Canonical SMILES CACTVS 3.385 COc1ccc2sc(NC(C)=O)nc2c1
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)Nc1nc2cc(ccc2s1)OC

IUPAC InChI

InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-5-7(14-2)3-4-9(8)15-10/h3-5H,1-2H3,(H,11,12,13)

IUPAC InChI key

ZKNFVQNHIHCHEW-UHFFFAOYSA-N
7QQ

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-06-08

Last modified at

2016-06-24

Status

Released

Obsoleted

Not Assigned