Name: Name:7a-Methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
Brand: Angene
SKU: AG00JA60
Rating: 90 (10 reviews)

7a-Methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

CAS No.:

17279-63-9

Catalog Number:

AG00JA60

Molecular Formula:

C8H11NO3S

Molecular Weight:

201.2428

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Product Description

Catalog Number:

AG00JA60

Chemical Name:

7a-Methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

CAS Number:

17279-63-9

Molecular Formula:

C8H11NO3S

Molecular Weight:

201.2428

MDL Number:

MFCD00553439

IUPAC Name:

7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

InChI:

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

InChI Key:

LVAMAFDAANOMGN-UHFFFAOYSA-N

SMILES:

OC(=O)C1CSC2(N1C(=O)CC2)C

NSC Number:

170278

Properties

Complexity:

281

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:

0.2

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