Home Nitros 4-(5-nitro-1H-benzo[d]iMidazol-2-yl)thiazole

4-(5-nitro-1H-benzo[d]iMidazol-2-yl)thiazole

CAS No.:
3575-05-1
Catalog Number:
AG00C9OZ
Molecular Formula:
C10H6N4O2S
Molecular Weight:
246.2452
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Product Description
Catalog Number:
AG00C9OZ
Chemical Name:
4-(5-nitro-1H-benzo[d]iMidazol-2-yl)thiazole
CAS Number:
3575-05-1
Molecular Formula:
C10H6N4O2S
Molecular Weight:
246.2452
MDL Number:
MFCD09971573
IUPAC Name:
4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole
InChI:
InChI=1S/C10H6N4O2S/c15-14(16)6-1-2-7-8(3-6)13-10(12-7)9-4-17-5-11-9/h1-5H,(H,12,13)
InChI Key:
LPEUFGNVMRMLRM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)c1cscn1
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.021g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.244g/mol
Monoisotopic Mass:
246.021g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors. Bioorganic & medicinal chemistry letters 20100715
Metal-mediated inhibition of Escherichia coli methionine aminopeptidase: structure-activity relationships and development of a novel scoring function for metal-ligand interactions. Journal of medicinal chemistry 20060126
Properties