Chemical Components in the PDB

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8TJ : Summary

Code

8TJ

One-letter code

X

Molecule name

N-methylthieno[2,3-b]pyridine-2-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methylthieno[2,3-b]pyridine-2-carboxamide
OpenEye OEToolkits 2.0.6 ~{N}-methylthieno[2,3-b]pyridine-2-carboxamide

Formula

C9 H8 N2 O S

Formal charge

0

Molecular weight

192.238 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(C(=O)c2cc1c(nccc1)s2)C
SMILES CACTVS 3.385 CNC(=O)c1sc2ncccc2c1
SMILES OpenEye OEToolkits 2.0.6 CNC(=O)c1cc2cccnc2s1
Canonical SMILES CACTVS 3.385 CNC(=O)c1sc2ncccc2c1
Canonical SMILES OpenEye OEToolkits 2.0.6 CNC(=O)c1cc2cccnc2s1

IUPAC InChI

InChI=1S/C9H8N2OS/c1-10-8(12)7-5-6-3-2-4-11-9(6)13-7/h2-5H,1H3,(H,10,12)

IUPAC InChI key

UKSXMWMDJAZHOM-UHFFFAOYSA-N
8TJ

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-03

Last modified at

2017-03-10

Status

Released

Obsoleted

Not Assigned