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

WGD

Summary
Name:1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine
Formula:C10 H16 F N3 S
Formal charge:0
Formula weight:229.318 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine
OpenEye OEToolkits2.0.7[(2~{S},4~{S})-4-fluoranyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(C)scc1CN2CC(F)CC2CN
InChIInChI1.03InChI=1S/C10H16FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h6,8,10H,2-5,12H2,1H3/t8-,10-/m0/s1
InChIKeyInChI1.03VIPXLPYFNQHHKS-WPRPVWTQSA-N
SMILES_CANONICALCACTVS3.385Cc1scc(CN2C[C@@H](F)C[C@H]2CN)n1
SMILESCACTVS3.385Cc1scc(CN2C[CH](F)C[CH]2CN)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1nc(cs1)CN2C[C@H](C[C@H]2CN)F
SMILESOpenEye OEToolkits2.0.7Cc1nc(cs1)CN2CC(CC2CN)F

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon