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Home > Boronic Acids > 947179-29-5
947179-29-5 | 2-Methyl-6-((2-methylthiazol-4-yl)carbamoyl)pyridine-4-boronic acid pinacol ester
CAS No: 947179-29-5 Catalog No: AG00IIGU MDL No:MFCD11617870
Product Description
Catalog Number:
AG00IIGU
Chemical Name:
2-Methyl-6-((2-methylthiazol-4-yl)carbamoyl)pyridine-4-boronic acid pinacol ester
CAS Number:
947179-29-5
Molecular Formula:
C17H22BN3O3S
Molecular Weight:
359.2509
MDL Number:
MFCD11617870
IUPAC Name:
6-methyl-N-(2-methyl-1,3-thiazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
InChI:
InChI=1S/C17H22BN3O3S/c1-10-7-12(18-23-16(3,4)17(5,6)24-18)8-13(19-10)15(22)21-14-9-25-11(2)20-14/h7-9H,1-6H3,(H,21,22)
InChI Key:
NJHXDYAKOFCPQD-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(n1)C(=O)Nc1csc(n1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.251g/mol
Monoisotopic Mass:
359.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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