Name: Name:5-phenyl-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
Brand: Angene
SKU: AG00IDLF
Rating: 90 (10 reviews)

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

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

339.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

339.413g/mol

Monoisotopic Mass:

339.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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