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

RA7

Summary
Name:[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
Formula:C8 H12 N2 O2 S
Formal charge:0
Formula weight:200.258 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
OpenEye OEToolkits2.0.6(2-morpholin-4-yl-1,3-thiazol-5-yl)methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1CN(CCO1)c2sc(CO)cn2
InChIInChI1.03InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2
InChIKeyInChI1.03VRNQHSDSVNEOKR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCc1sc(nc1)N2CCOCC2
SMILESCACTVS3.385OCc1sc(nc1)N2CCOCC2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1c(sc(n1)N2CCOCC2)CO
SMILESOpenEye OEToolkits2.0.6c1c(sc(n1)N2CCOCC2)CO

221716

数据于2024-06-26公开中

PDB statisticsPDBj update infoContact PDBjnumon