Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

WFI

概要
表記:1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine
組成式:C10 H11 N3 S
電荷:0
化学式量:205.279 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.011-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine
OpenEye OEToolkits2.0.7(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01NCc1sc(nc1C)c1ccncc1
InChIInChI1.06InChI=1S/C10H11N3S/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h2-5H,6,11H2,1H3
InChIKeyInChI1.06HSWRYUZXDMQDGC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc(sc1CN)c2ccncc2
SMILESCACTVS3.385Cc1nc(sc1CN)c2ccncc2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(sc(n1)c2ccncc2)CN
SMILESOpenEye OEToolkits2.0.7Cc1c(sc(n1)c2ccncc2)CN

221716

件を2024-06-26に公開中

PDB statisticsPDBj update infoContact PDBjnumon