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4JG : Summary

Code

4JG

One-letter code

X

Molecule name

1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone

Systematic names

ProgramVersionName
ACDLabs 12.01 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
OpenEye OEToolkits 1.7.6 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone

Formula

C16 H14 N2 O S

Formal charge

0

Molecular weight

282.36 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1sc(nc1C)Nc2ccc3c(c2)cccc3)C
SMILES CACTVS 3.370 CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
SMILES OpenEye OEToolkits 1.7.6 Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C
Canonical SMILES CACTVS 3.370 CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C

IUPAC InChI

InChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18)

IUPAC InChI key

CELUMPGHYUOWHA-UHFFFAOYSA-N
4JG

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-11

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned