Home Aminos 1,2-Benzenediol,4-(2-amino-4-thiazolyl)-(9CI)

1,2-Benzenediol,4-(2-amino-4-thiazolyl)-(9CI)

CAS No.:
15386-52-4
Catalog Number:
AG00AUJJ
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
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Product Description
Catalog Number:
AG00AUJJ
Chemical Name:
1,2-Benzenediol,4-(2-amino-4-thiazolyl)-(9CI)
CAS Number:
15386-52-4
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD00296918
IUPAC Name:
4-(2-amino-1,3-thiazol-4-yl)benzene-1,2-diol
InChI:
InChI=1S/C9H8N2O2S/c10-9-11-6(4-14-9)5-1-2-7(12)8(13)3-5/h1-4,12-13H,(H2,10,11)
InChI Key:
BXERITWATISKIF-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)c1ccc(c(c1)O)O
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
A cell-based assay that targets methionine aminopeptidase in a physiologically relevant environment. Bioorganic & medicinal chemistry letters 20100401
Identification by high throughput screening of small compounds inhibiting the nucleic acid destabilization activity of the HIV-1 nucleocapsid protein. Biochimie 20090701
Discovery of inhibitors of Escherichia coli methionine aminopeptidase with the Fe(II)-form selectivity and antibacterial activity. Journal of medicinal chemistry 20081009
Properties