Home Carboxys 6-oxo-1-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-1,6-dihydropyridine-3-carboxylic acid

6-oxo-1-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-1,6-dihydropyridine-3-carboxylic acid

CAS No.:
1282763-59-0
Catalog Number:
AG01ACQ9
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
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Product Description
Catalog Number:
AG01ACQ9
Chemical Name:
6-oxo-1-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-1,6-dihydropyridine-3-carboxylic acid
CAS Number:
1282763-59-0
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
MDL Number:
MFCD16404135
IUPAC Name:
6-oxo-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H14N2O3S/c1-8(2)12-14-10(7-19-12)6-15-5-9(13(17)18)3-4-11(15)16/h3-5,7-8H,6H2,1-2H3,(H,17,18)
InChI Key:
NSULXCGRVQKOQQ-UHFFFAOYSA-N
SMILES:
CC(c1scc(n1)Cn1cc(ccc1=O)C(=O)O)C
Properties
Complexity:
445  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties