Home Carboxys Thiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester

Thiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester

CAS No.:
165948-21-0
Catalog Number:
AG001WF9
Molecular Formula:
C12H15N2O4S-
Molecular Weight:
283.3235
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Product Description
Catalog Number:
AG001WF9
Chemical Name:
Thiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester
CAS Number:
165948-21-0
Molecular Formula:
C12H15N2O4S-
Molecular Weight:
283.3235
MDL Number:
MFCD11656782
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)14-5-4-7-8(6-14)19-9(13-7)10(15)16/h4-6H2,1-3H3,(H,15,16)
InChI Key:
LLPCRFYYYVEWMH-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)sc(n2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties