Chemical Components in the PDB

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HM5 : Summary

Code

HM5

One-letter code

X

Molecule name

3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-[(2,2-dimethylpropanoyl)amino]-N-1,3-thiazol-2-ylpyridine-2-carboxamide
OpenEye OEToolkits 1.5.0 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

Formula

C14 H16 N4 O2 S

Formal charge

0

Molecular weight

304.367 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1ncccc1NC(=O)C(C)(C)C)Nc2nccs2
SMILES CACTVS 3.341 CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2sccn2
SMILES OpenEye OEToolkits 1.5.0 CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2
Canonical SMILES CACTVS 3.341 CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2sccn2
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2

IUPAC InChI

InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)

IUPAC InChI key

CAVCWRXFMNCBCM-UHFFFAOYSA-N
HM5

wwPDB Information

Atom count

37 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-11-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned