Chemical Components in the PDB

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G1N : Summary

Code

G1N

One-letter code

X

Molecule name

5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid

Formula

C9 H7 N3 O4 S2

Formal charge

0

Molecular weight

285.3 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1ncsc1N[S](=O)(=O)c2cccnc2
SMILES OpenEye OEToolkits 2.0.6 c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1ncsc1N[S](=O)(=O)c2cccnc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O

IUPAC InChI

InChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14)

IUPAC InChI key

OLGRJQGVXXCIMN-UHFFFAOYSA-N
G1N

wwPDB Information

Atom count

25 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-21

Last modified at

2018-11-30

Status

Released

Obsoleted

Not Assigned