Chemical Components in the PDB

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O0J : Summary

Code

O0J

One-letter code

X

Molecule name

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
OpenEye OEToolkits 2.0.6 ~{N}-[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]ethanamide

Formula

C11 H11 N3 O S

Formal charge

0

Molecular weight

233.29 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Nc2nc(c1ccc(cc1)NC(C)=O)cs2
SMILES CACTVS 3.385 CC(=O)Nc1ccc(cc1)c2csc(N)n2
SMILES OpenEye OEToolkits 2.0.6 CC(=O)Nc1ccc(cc1)c2csc(n2)N
Canonical SMILES CACTVS 3.385 CC(=O)Nc1ccc(cc1)c2csc(N)n2
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)Nc1ccc(cc1)c2csc(n2)N

IUPAC InChI

InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)

IUPAC InChI key

VBBNSESFUHRMJU-UHFFFAOYSA-N
O0J

wwPDB Information

Atom count

27 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-06-04

Last modified at

2019-08-16

Status

Released

Obsoleted

Not Assigned