N,N-dimethyl-4-(1,3-thiazolidin-2-yl)aniline 2-(4-二甲基氨基苯基)噻唑烷,

CAS 712-80-1 MFCD00602263

化学结构图

712-80-1
SMILES: CN(C)c1ccc(C2NCCS2)cc1

化学属性

Mol. FormulaC11
Mol. Weight208
Melting Point139 - 141 (°C)

别名和识别编码

Chemical NameN,N-Dimethyl-4-(thiazolidin-2-yl)aniline
CAS Number712-80-1
Alfabeta NameDIMETHYLTHIAZOLANYLANILINE NN4132()------,,
MDL NumberMFCD00602263
Chemical Name Translation2-(4-二甲基氨基苯基)噻唑烷,
InChIKeyISSWNDGJXPGDPC-UHFFFAOYSA-N
Wiswesser Line NotationT5M CSTJ BR DN1&1
Synonym 2-(p-(Dimethylamino)phenyl)thiazolidine
Beilstein Registry Number1212853
LabNetwork Molecule IDLN00122243
PubChem Substance ID120774
InChIInChI=1S/C11H16N2S/c1-13(2)10-5-3-9(4-6-10)11-12-7-8-14-11/h3-6,11-12H,7-8H2,1-2H3
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分类

  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
RTECSXJ5566500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 17,235,1982

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
1
Rotatable Bonds
2
LogP
1

系列性分类

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