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4447-45-4,MFCD00980805
Catalog No.:AA00DIX9

4447-45-4 | 5-(2-Furyl)-1,3,4-thiadiazol-2-amine

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  • Technical Information
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  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DIX9
Chemical Name:
5-(2-Furyl)-1,3,4-thiadiazol-2-amine
CAS Number:
4447-45-4
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
MDL Number:
MFCD00980805
SMILES:
Nc1nnc(s1)c1ccco1
NSC Number:
522432
Properties
Computed Properties
 
Complexity:
146  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.8  

Downstream Synthesis Route

[1]Guan,Peng;Wang,Lei;Hou,Xuben;Wan,Yichao;Xu,Wenfang;Tang,Weiping;Fang,Hao[BioorganicandMedicinalChemistry,2014,vol.22,#21,p.5766-5775]

[2]Locationinpatent:experimentalpartFerrari,Stefania;Morandi,Federica;Motiejunas,Domantas;Nerini,Erika;Henrich,Stefan;Luciani,Rosaria;Venturelli,Alberto;Lazzari,Sandra;Calò,Samuele;Gupta,Shreedhara;Hannaert,Veronique;Michels,PaulA.M.;Wade,RebeccaC.;Costi,M.Paola[JournalofMedicinalChemistry,2011,vol.54,#1,p.211-221]

[3]Dong,Hong-Ru;Gao,Zhong-Lian;Li,Rong-Shan;Hu,Yi-Ming;Dong,Heng-Shan;Xie,Zhi-Xiang[RSCAdvances,2014,vol.4,#99,p.55827-55831]Yang,Ming-Yan;Zhao,Wen;Sun,Zhao-Hui;Tan,Cheng-Xia;Weng,Jian-Quan;Liu,Xing-Hai[Lettersindrugdesignanddiscovery,2015,vol.12,#4,p.314-318]

4447-45-4    41263-74-5   
C14H11N5O4S 

[1]Patent:US2016/9760,2016,A1.Locationinpatent:Paragraph0323;0324;0325

Literature

Title: Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

Journal: Journal of medicinal chemistry 20110113

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
Tags:4447-45-4 Molecular Formula|4447-45-4 MDL|4447-45-4 SMILES|4447-45-4 5-(2-Furyl)-1,3,4-thiadiazol-2-amine |Heterocyclic_Building_Blocks