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Home Aminos 3-Allyl-4-amino-2-thioxo-2,3-dihydrothiazole-5-carboxamide

3-Allyl-4-amino-2-thioxo-2,3-dihydrothiazole-5-carboxamide

CAS No.:
7157-91-7
Catalog Number:
AG0064TM
Molecular Formula:
C7H9N3OS2
Molecular Weight:
215.2959
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Product Description
Catalog Number:
AG0064TM
Chemical Name:
3-Allyl-4-amino-2-thioxo-2,3-dihydrothiazole-5-carboxamide
CAS Number:
7157-91-7
Molecular Formula:
C7H9N3OS2
Molecular Weight:
215.2959
MDL Number:
MFCD00857757
IUPAC Name:
4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C7H9N3OS2/c1-2-3-10-5(8)4(6(9)11)13-7(10)12/h2H,1,3,8H2,(H2,9,11)
InChI Key:
RCNAPOFQSALVID-UHFFFAOYSA-N
SMILES:
Nc1c(sc(=S)n1CC=C)C(=O)N
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.289g/mol
Monoisotopic Mass:
215.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties