Home Carboxys 5-tert-butyl 2-methyl 4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine-2,5-dicarboxylate

5-tert-butyl 2-methyl 4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine-2,5-dicarboxylate

CAS No.:
1695329-31-7
Catalog Number:
AG01BDP8
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
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Product Description
Catalog Number:
AG01BDP8
Chemical Name:
5-tert-butyl 2-methyl 4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine-2,5-dicarboxylate
CAS Number:
1695329-31-7
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD28064279
IUPAC Name:
5-O-tert-butyl 2-O-methyl 6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2,5-dicarboxylate
InChI:
InChI=1S/C13H18N2O4S/c1-13(2,3)19-12(17)15-6-5-9-8(7-15)14-10(20-9)11(16)18-4/h5-7H2,1-4H3
InChI Key:
XGDKMIZKTXZPNF-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(n1)CN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties