Chemical Components in the PDB

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TZE : Summary

Code

TZE

One-letter code

X

Molecule name

2-(4-METHYL-THIAZOL-5-YL)-ETHANOL

Synonyms

4-METHYL-5-HYDROXYETHYLTHIAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(4-methyl-1,3-thiazol-5-yl)ethanol
OpenEye OEToolkits 1.5.0 2-(4-methyl-1,3-thiazol-5-yl)ethanol

Formula

C6 H9 N O S

Formal charge

0

Molecular weight

143.207 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCc1scnc1C
SMILES CACTVS 3.341 Cc1ncsc1CCO
SMILES OpenEye OEToolkits 1.5.0 Cc1c(scn1)CCO
Canonical SMILES CACTVS 3.341 Cc1ncsc1CCO
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(scn1)CCO

IUPAC InChI

InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3

IUPAC InChI key

BKAWJIRCKVUVED-UHFFFAOYSA-N
TZE

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-30

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned