Home Carboxys ethyl 2-(piperidin-4-yl)-1,3-thiazole-4-carboxylate hydrobromide

ethyl 2-(piperidin-4-yl)-1,3-thiazole-4-carboxylate hydrobromide

CAS No.:
692756-87-9
Catalog Number:
AG01BE1R
Molecular Formula:
C11H17BrN2O2S
Molecular Weight:
321.2339
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Product Description
Catalog Number:
AG01BE1R
Chemical Name:
ethyl 2-(piperidin-4-yl)-1,3-thiazole-4-carboxylate hydrobromide
CAS Number:
692756-87-9
Molecular Formula:
C11H17BrN2O2S
Molecular Weight:
321.2339
MDL Number:
MFCD28063760
IUPAC Name:
ethyl 2-piperidin-4-yl-1,3-thiazole-4-carboxylate;hydrobromide
InChI:
InChI=1S/C11H16N2O2S.BrH/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8;/h7-8,12H,2-6H2,1H3;1H
InChI Key:
QRADOVSNWGBZDR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)C1CCNCC1.Br
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.019g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.233g/mol
Monoisotopic Mass:
320.019g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties