Chemical Components in the PDB

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JFP : Summary

Code

JFP

One-letter code

X

Molecule name

N-(4-methyl-1,3-thiazol-2-yl)propanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(4-methyl-1,3-thiazol-2-yl)propanamide
OpenEye OEToolkits 2.0.6 ~{N}-(4-methyl-1,3-thiazol-2-yl)propanamide

Formula

C7 H10 N2 O S

Formal charge

0

Molecular weight

170.232 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CCC(=O)Nc1nc(cs1)C
SMILES CACTVS 3.385 CCC(=O)Nc1scc(C)n1
SMILES OpenEye OEToolkits 2.0.6 CCC(=O)Nc1nc(cs1)C
Canonical SMILES CACTVS 3.385 CCC(=O)Nc1scc(C)n1
Canonical SMILES OpenEye OEToolkits 2.0.6 CCC(=O)Nc1nc(cs1)C

IUPAC InChI

InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)

IUPAC InChI key

AIOZNYOAFODHNA-UHFFFAOYSA-N
JFP

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-09-10

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned