Chemical Components in the PDB

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UDY : Summary

Code

UDY

One-letter code

X

Molecule name

6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

Formula

C15 H9 F N4 S2

Formal charge

0

Molecular weight

328.387 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Fc1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1
SMILES OpenEye OEToolkits 2.0.6 c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F
Canonical SMILES CACTVS 3.385 Fc1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F

IUPAC InChI

InChI=1S/C15H9FN4S2/c16-9-4-5-11-13(7-9)22-15(18-11)20-14-19-12(8-21-14)10-3-1-2-6-17-10/h1-8H,(H,18,19,20)

IUPAC InChI key

CKLUPEBKNDQOFT-UHFFFAOYSA-N
UDY

wwPDB Information

Atom count

31 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-01-27

Last modified at

2017-10-20

Status

Released

Obsoleted

Not Assigned