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Ethyl 2-(4-Fluoro-phenylamino)-4-methyl-thiazole-5-carboxylate

CAS No.:
579495-21-9
Catalog Number:
AG01F6BW
Molecular Formula:
C13H13FN2O2S
Molecular Weight:
280.3179
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$89
- +
1g
98%
1 week
United States
$192
- +
Product Description
Catalog Number:
AG01F6BW
Chemical Name:
Ethyl 2-(4-Fluoro-phenylamino)-4-methyl-thiazole-5-carboxylate
CAS Number:
579495-21-9
Molecular Formula:
C13H13FN2O2S
Molecular Weight:
280.3179
MDL Number:
MFCD03822987
IUPAC Name:
ethyl 2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C13H13FN2O2S/c1-3-18-12(17)11-8(2)15-13(19-11)16-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,16)
InChI Key:
AIWIKAAAKLNKJJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C)Nc1ccc(cc1)F
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.068g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.317g/mol
Monoisotopic Mass:
280.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties