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Home Amines 571919-39-6
571919-39-6,MFCD04612074
Catalog No.:AA00IA4C

571919-39-6 | 2-((5-[(4-Ethylphenyl)amino]-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid

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Technical Information
Catalog Number:
AA00IA4C
Chemical Name:
2-((5-[(4-Ethylphenyl)amino]-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid
CAS Number:
571919-39-6
Molecular Formula:
C12H13N3O2S2
Molecular Weight:
295.3805
MDL Number:
MFCD04612074
SMILES:
CCc1ccc(cc1)Nc1nnc(s1)SCC(=O)O
Properties
Computed Properties
 
Complexity:
299  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
3.5  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:571919-39-6 Molecular Formula|571919-39-6 MDL|571919-39-6 SMILES|571919-39-6 2-((5-[(4-Ethylphenyl)amino]-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid