Name: Name:4-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)butanoic acid
Brand: Angene
SKU: AG019ODK
Rating: 90 (10 reviews)

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

CAS No.:

854137-79-4

Catalog Number:

AG019ODK

Molecular Formula:

C8H11NO3S

Molecular Weight:

201.2428

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Product Description

Catalog Number:

AG019ODK

Chemical Name:

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

CAS Number:

854137-79-4

Molecular Formula:

C8H11NO3S

Molecular Weight:

201.2428

MDL Number:

MFCD07311006

IUPAC Name:

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

InChI:

InChI=1S/C8H11NO3S/c1-6-5-13-8(12)9(6)4-2-3-7(10)11/h5H,2-4H2,1H3,(H,10,11)

InChI Key:

DYRYBHFPOZKIQX-UHFFFAOYSA-N

SMILES:

OC(=O)CCCn1c(C)csc1=O

Properties

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

201.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.24g/mol

Monoisotopic Mass:

201.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

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