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Ethyl 2-amino-4-isopropylthiazole-5-carboxylate

CAS No.:
72850-76-1
Catalog Number:
AG005E83
Molecular Formula:
C9H14N2O2S
Molecular Weight:
214.2847
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Product Description
Catalog Number:
AG005E83
Chemical Name:
Ethyl 2-amino-4-isopropylthiazole-5-carboxylate
CAS Number:
72850-76-1
Molecular Formula:
C9H14N2O2S
Molecular Weight:
214.2847
MDL Number:
MFCD01924808
IUPAC Name:
ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C9H14N2O2S/c1-4-13-8(12)7-6(5(2)3)11-9(10)14-7/h5H,4H2,1-3H3,(H2,10,11)
InChI Key:
SAYUBFVIKXSBTI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C(C)C)N
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.078g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.283g/mol
Monoisotopic Mass:
214.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
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