Name: Name:5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole-2-thiol
Brand: Angene
SKU: AG01EITJ
Rating: 90 (10 reviews)

5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole-2-thiol

CAS No.:

750607-36-4

Catalog Number:

AG01EITJ

Molecular Formula:

C7H7N3OS2

Molecular Weight:

213.2800

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Product Description

Catalog Number:

AG01EITJ

Chemical Name:

5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole-2-thiol

CAS Number:

750607-36-4

Molecular Formula:

C7H7N3OS2

Molecular Weight:

213.2800

MDL Number:

MFCD06335183

IUPAC Name:

5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C7H7N3OS2/c1-4-8-5(3-13-4)2-6-9-10-7(12)11-6/h3H,2H2,1H3,(H,10,12)

InChI Key:

YFTYXTRGMJHWGD-UHFFFAOYSA-N

SMILES:

Sc1nnc(o1)Cc1csc(n1)C

Properties

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.003g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.273g/mol

Monoisotopic Mass:

213.003g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

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