Home Carboxys 2-benzyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

2-benzyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

CAS No.:
954260-10-7
Catalog Number:
AG01AAPU
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
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Product Description
Catalog Number:
AG01AAPU
Chemical Name:
2-benzyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CAS Number:
954260-10-7
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
MDL Number:
MFCD09738533
IUPAC Name:
2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C14H10N2O3S/c17-12-11(13(18)19)7-15-14-16(12)8-10(20-14)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,18,19)
InChI Key:
PMKPYSURELAEQU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2n(c1=O)cc(s2)Cc1ccccc1
Properties
Complexity:
545  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties