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Home > Boronic Acids > 1160791-16-1
1160791-16-1 | 2-(3-Ethylureido)thiazolo[5,4-b]pyridine-6-boronic acid pinacol ester
CAS No: 1160791-16-1 Catalog No: AG00HDOZ MDL No:MFCD13190772
Product Description
Catalog Number:
AG00HDOZ
Chemical Name:
2-(3-Ethylureido)thiazolo[5,4-b]pyridine-6-boronic acid pinacol ester
CAS Number:
1160791-16-1
Molecular Formula:
C15H21BN4O3S
Molecular Weight:
348.2282
MDL Number:
MFCD13190772
IUPAC Name:
1-ethyl-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
InChI:
InChI=1S/C15H21BN4O3S/c1-6-17-12(21)20-13-19-10-7-9(8-18-11(10)24-13)16-22-14(2,3)15(4,5)23-16/h7-8H,6H2,1-5H3,(H2,17,19,20,21)
InChI Key:
NZZLECBWDDORQM-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1nc2c(s1)ncc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.228g/mol
Monoisotopic Mass:
348.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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