Chemical Components in the PDB

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K5Z : Summary

Code

K5Z

One-letter code

X

Molecule name

5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide

Formula

C14 H17 N3 S

Formal charge

0

Molecular weight

259.37 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCCCc1sc(cc1c2ccccc2)C(N)=N
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2cc(sc2CCCN)C(=N)N
Canonical SMILES CACTVS 3.385 NCCCc1sc(cc1c2ccccc2)C(N)=N
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\c1cc(c(s1)CCCN)c2ccccc2)/N

IUPAC InChI

InChI=1S/C14H17N3S/c15-8-4-7-12-11(9-13(18-12)14(16)17)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,15H2,(H3,16,17)

IUPAC InChI key

MCPMDVYDZQBIHS-UHFFFAOYSA-N
K5Z

wwPDB Information

Atom count

35 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-29

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned