Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

N5V

Summary
Name:N-ethyl-N'-1,3-thiazol-2-ylurea
Formula:C6 H9 N3 O S
Formal charge:0
Formula weight:171.22 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-ethyl-N'-1,3-thiazol-2-ylurea
OpenEye OEToolkits2.0.61-ethyl-3-(1,3-thiazol-2-yl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C(NCC)=O)c1nccs1
InChIInChI1.03InChI=1S/C6H9N3OS/c1-2-7-5(10)9-6-8-3-4-11-6/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKeyInChI1.03QJLXNWDDALWJDF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCNC(=O)Nc1sccn1
SMILESCACTVS3.385CCNC(=O)Nc1sccn1
SMILES_CANONICALOpenEye OEToolkits2.0.6CCNC(=O)Nc1nccs1
SMILESOpenEye OEToolkits2.0.6CCNC(=O)Nc1nccs1

222624

건을2024-07-17부터공개중

PDB statisticsPDBj update infoContact PDBjnumon