Home Carboxys 5-phenyl-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

5-phenyl-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

CAS No.:
852388-80-8
Catalog Number:
AG00IDLF
Molecular Formula:
C18H17N3O2S
Molecular Weight:
339.4115
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IDLF
Chemical Name:
5-phenyl-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
CAS Number:
852388-80-8
Molecular Formula:
C18H17N3O2S
Molecular Weight:
339.4115
MDL Number:
MFCD06655425
IUPAC Name:
5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
InChI:
InChI=1S/C18H17N3O2S/c22-17(23)13-11-14(12-7-3-1-4-8-12)19-16-15(13)24-18(20-16)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,22,23)
InChI Key:
VOURJZUOTXNCLL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1sc(n2)N1CCCCC1)c1ccccc1
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.104g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
339.413g/mol
Monoisotopic Mass:
339.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties