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

T2H

Summary
Name:5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
Formula:C10 H11 N3 O S
Formal charge:0
Formula weight:221.279 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H11N3OS/c1-2-14-8-5-3-4-7(6-8)9-12-13-10(11)15-9/h3-6H,2H2,1H3,(H2,11,13)
InChIKeyInChI1.03APEORNRUGDLVDP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1cccc(c1)c2sc(N)nn2
SMILESCACTVS3.385CCOc1cccc(c1)c2sc(N)nn2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOc1cccc(c1)c2nnc(s2)N
SMILESOpenEye OEToolkits2.0.7CCOc1cccc(c1)c2nnc(s2)N

223166

PDB entries from 2024-07-31

PDB statisticsPDBj update infoContact PDBjnumon