Chemical Components in the PDB

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S8P : Summary

Code

S8P

One-letter code

X

Molecule name

5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide

Formula

C10 H14 N2 O2 S

Formal charge

0

Molecular weight

226.295 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1snc(c1)C(=O)NC[CH]2CCCO2
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(ns1)C(=O)NCC2CCCO2
Canonical SMILES CACTVS 3.385 Cc1snc(c1)C(=O)NC[C@@H]2CCCO2
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2

IUPAC InChI

InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1

IUPAC InChI key

PYHOSVJXCWPVCG-QMMMGPOBSA-N
S8P

wwPDB Information

Atom count

29 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-05

Last modified at

2020-04-17

Status

Released

Obsoleted

Not Assigned