Chemical Components in the PDB

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27Z : Summary

Code

27Z

One-letter code

X

Molecule name

4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
OpenEye OEToolkits 1.7.2 4-azanyl-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

Formula

C10 H11 N5 O3 S2

Formal charge

0

Molecular weight

313.356 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N)c2ccc(Nc1nc(c(s1)C(=O)N)N)cc2
SMILES CACTVS 3.370 NC(=O)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1N
SMILES OpenEye OEToolkits 1.7.2 c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N
Canonical SMILES CACTVS 3.370 NC(=O)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1N
Canonical SMILES OpenEye OEToolkits 1.7.2 c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N

IUPAC InChI

InChI=1S/C10H11N5O3S2/c11-8-7(9(12)16)19-10(15-8)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,11H2,(H2,12,16)(H,14,15)(H2,13,17,18)

IUPAC InChI key

NYEMVPGQXLAKEH-UHFFFAOYSA-N
27Z

wwPDB Information

Atom count

31 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-04-28

Last modified at

2012-10-26

Status

Released

Obsoleted

Not Assigned