Chemical Components in the PDB

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L5X : Summary

Code

L5X

One-letter code

X

Molecule name

3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol

Systematic names

ProgramVersionName
ACDLabs 12.01 3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol
OpenEye OEToolkits 2.0.7 3-[[(5~{S})-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol

Formula

C10 H12 N2 O S

Formal charge

0

Molecular weight

208.28 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CC1CN=C(Nc2cc(O)ccc2)S1
SMILES CACTVS 3.385 C[CH]1CN=C(Nc2cccc(O)c2)S1
SMILES OpenEye OEToolkits 2.0.7 CC1CN=C(S1)Nc2cccc(c2)O
Canonical SMILES CACTVS 3.385 C[C@H]1CN=C(Nc2cccc(O)c2)S1
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H]1CN=C(S1)Nc2cccc(c2)O

IUPAC InChI

InChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1

IUPAC InChI key

WAICHRCMCQSSEP-ZETCQYMHSA-N
L5X

wwPDB Information

Atom count

26 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-28

Last modified at

2022-09-30

Status

Released

Obsoleted

Not Assigned