Chemical Components in the PDB

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1GO : Summary

Code

1GO

One-letter code

X

Molecule name

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
OpenEye OEToolkits 1.7.6 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-ethanamide

Formula

C8 H8 N4 O3 S3

Formal charge

0

Molecular weight

304.369 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(c1nnc(s1)NC(=O)Cc2sccc2)N
SMILES CACTVS 3.370 N[S](=O)(=O)c1sc(NC(=O)Cc2sccc2)nn1
SMILES OpenEye OEToolkits 1.7.6 c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N
Canonical SMILES CACTVS 3.370 N[S](=O)(=O)c1sc(NC(=O)Cc2sccc2)nn1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N

IUPAC InChI

InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)

IUPAC InChI key

KROUVPYNINHEBZ-UHFFFAOYSA-N
1GO

wwPDB Information

Atom count

26 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-01-25

Last modified at

2013-12-06

Status

Released

Obsoleted

Not Assigned