Chemical Components in the PDB

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0K7 : Summary

Code

0K7

One-letter code

X

Molecule name

2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid

Synonyms

MO07123

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
OpenEye OEToolkits 1.7.6 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid

Formula

C11 H9 N O2 S

Formal charge

0

Molecular weight

219.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c1nc(sc1)c2ccc(cc2)C
SMILES CACTVS 3.370 Cc1ccc(cc1)c2scc(n2)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(cc1)c2nc(cs2)C(=O)O
Canonical SMILES CACTVS 3.370 Cc1ccc(cc1)c2scc(n2)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(cc1)c2nc(cs2)C(=O)O

IUPAC InChI

InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)

IUPAC InChI key

MTVWIZYQYPRZGZ-UHFFFAOYSA-N
0K7

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-01-30

Last modified at

2012-12-07

Status

Released

Obsoleted

Not Assigned