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K6N : Summary

Code

K6N

One-letter code

X

Molecule name

7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide

Formula

C13 H13 N5 S

Formal charge

0

Molecular weight

271.341 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cn(nc1N)c2cccc3cc(sc23)C(N)=N
SMILES OpenEye OEToolkits 2.0.7 Cc1cn(nc1N)c2cccc3c2sc(c3)C(=N)N
Canonical SMILES CACTVS 3.385 Cc1cn(nc1N)c2cccc3cc(sc23)C(N)=N
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\c1cc2cccc(c2s1)n3cc(c(n3)N)C)/N

IUPAC InChI

InChI=1S/C13H13N5S/c1-7-6-18(17-13(7)16)9-4-2-3-8-5-10(12(14)15)19-11(8)9/h2-6H,1H3,(H3,14,15)(H2,16,17)

IUPAC InChI key

WSXJHZMHUGMEOM-UHFFFAOYSA-N
K6N

wwPDB Information

Atom count

32 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-30

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned