Name: Name:2-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)acetic acid
Brand: Angene
SKU: AG019NX9
Rating: 90 (10 reviews)

2-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)acetic acid

CAS No.:

68104-03-0

Catalog Number:

AG019NX9

Molecular Formula:

C6H7NO3S

Molecular Weight:

173.1897

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Product Description

Catalog Number:

AG019NX9

Chemical Name:

2-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)acetic acid

CAS Number:

68104-03-0

Molecular Formula:

C6H7NO3S

Molecular Weight:

173.1897

MDL Number:

MFCD06380390

IUPAC Name:

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid

InChI:

InChI=1S/C6H7NO3S/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9)

InChI Key:

RUXSNFPDNUJKLO-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1c(C)csc1=O

Properties

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.186g/mol

Monoisotopic Mass:

173.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

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