Name: Name:2-(4-chlorobenzoyl)-4,6-dimethyl-2H,3H-[1,2]thiazolo[5,4-b]pyridin-3-one
Brand: Angene
SKU: AG01DWMO
Rating: 90 (10 reviews)

2-(4-chlorobenzoyl)-4,6-dimethyl-2H,3H-[1,2]thiazolo[5,4-b]pyridin-3-one

CAS No.:

724708-97-8

Catalog Number:

AG01DWMO

Molecular Formula:

C15H11ClN2O2S

Molecular Weight:

318.7780

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Product Description

Catalog Number:

AG01DWMO

Chemical Name:

2-(4-chlorobenzoyl)-4,6-dimethyl-2H,3H-[1,2]thiazolo[5,4-b]pyridin-3-one

CAS Number:

724708-97-8

Molecular Formula:

C15H11ClN2O2S

Molecular Weight:

318.7780

MDL Number:

MFCD04110461

IUPAC Name:

2-(4-chlorobenzoyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one

InChI:

InChI=1S/C15H11ClN2O2S/c1-8-7-9(2)17-13-12(8)15(20)18(21-13)14(19)10-3-5-11(16)6-4-10/h3-7H,1-2H3

InChI Key:

YMAUKZYHCJAXOJ-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)C(=O)n1sc2c(c1=O)c(C)cc(n2)C

Properties

Complexity:

439

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.775g/mol

Monoisotopic Mass:

318.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101