Chemical Components in the PDB

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CK5 : Summary

Code

CK5

One-letter code

X

Molecule name

3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL

Systematic names

ProgramVersionName
ACDLabs 10.04 3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}phenol
OpenEye OEToolkits 1.5.0 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol

Formula

C15 H14 N4 O S

Formal charge

0

Molecular weight

298.363 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c(c1sc(nc1C)C)ccnc2Nc3cccc(O)c3
SMILES CACTVS 3.341 Cc1sc(c(C)n1)c2ccnc(Nc3cccc(O)c3)n2
SMILES OpenEye OEToolkits 1.5.0 Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O
Canonical SMILES CACTVS 3.341 Cc1sc(c(C)n1)c2ccnc(Nc3cccc(O)c3)n2
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O

IUPAC InChI

InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(20)8-11/h3-8,20H,1-2H3,(H,16,18,19)

IUPAC InChI key

JJDRRZFRTKZLFT-UHFFFAOYSA-N
CK5

wwPDB Information

Atom count

35 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-07-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned