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1312412-88-6 | Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-amino-6,7-dihydro-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1312412-88-6 Catalog No: AG000VRX MDL No:
Product Description
Catalog Number:
AG000VRX
Chemical Name:
Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-amino-6,7-dihydro-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1312412-88-6
Molecular Formula:
C11H15N3O3S
Molecular Weight:
269.3201
IUPAC Name:
tert-butyl 2-amino-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
InChI:
InChI=1S/C11H15N3O3S/c1-11(2,3)17-10(16)14-5-4-6-7(8(14)15)18-9(12)13-6/h4-5H2,1-3H3,(H2,12,13)
InChI Key:
RBJKJXHZEJQVRC-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1=O)sc(n2)N)OC(C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.319g/mol
Monoisotopic Mass:
269.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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