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1246549-82-5 | 2-Thiazolecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS No: 1246549-82-5 Catalog No: AG000MJF MDL No:MFCD17676282
Product Description
Catalog Number:
AG000MJF
Chemical Name:
2-Thiazolecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS Number:
1246549-82-5
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
MDL Number:
MFCD17676282
IUPAC Name:
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C11H16N2O4S/c1-5-16-9(14)8-12-6-7(18-8)13-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,13,15)
InChI Key:
ADGORCZRAITKCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(s1)NC(=O)OC(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.319g/mol
Monoisotopic Mass:
272.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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