Chemical Components in the PDB

pdbe.org/chem
spacer

DZY : Summary

Code

DZY

One-letter code

X

Molecule name

(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2,5-dimethyl-1,3-thiazol-4-yl)acetic acid
OpenEye OEToolkits 1.7.6 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanoic acid

Formula

C7 H9 N O2 S

Formal charge

0

Molecular weight

171.217 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)Cc1nc(sc1C)C
SMILES CACTVS 3.370 Cc1sc(C)c(CC(O)=O)n1
SMILES OpenEye OEToolkits 1.7.6 Cc1c(nc(s1)C)CC(=O)O
Canonical SMILES CACTVS 3.370 Cc1sc(C)c(CC(O)=O)n1
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1c(nc(s1)C)CC(=O)O

IUPAC InChI

InChI=1S/C7H9NO2S/c1-4-6(3-7(9)10)8-5(2)11-4/h3H2,1-2H3,(H,9,10)

IUPAC InChI key

FFPWICPYXBDRHM-UHFFFAOYSA-N
DZY

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-10

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned