Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

5IY : Summary

Code

5IY

One-letter code

X

Molecule name

2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid

Formula

C8 H12 N2 O2 S

Formal charge

0

Molecular weight

200.258 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)Cc1sc(N)nc1C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)Cc1c(nc(s1)N)C(=O)O
Canonical SMILES CACTVS 3.385 CC(C)Cc1sc(N)nc1C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)Cc1c(nc(s1)N)C(=O)O

IUPAC InChI

InChI=1S/C8H12N2O2S/c1-4(2)3-5-6(7(11)12)10-8(9)13-5/h4H,3H2,1-2H3,(H2,9,10)(H,11,12)

IUPAC InChI key

BDBZLWWAHLRGEV-UHFFFAOYSA-N
5IY

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-01-09

Last modified at

2023-10-27

Status

Released

Obsoleted

Not Assigned