Name: Name:5-[1-(dimethylamino)propyl]-1,3,4-oxadiazole-2-thiol
Brand: Angene
SKU: AG019J8F
Rating: 90 (10 reviews)

5-[1-(dimethylamino)propyl]-1,3,4-oxadiazole-2-thiol

CAS No.:

749906-86-3

Catalog Number:

AG019J8F

Molecular Formula:

C7H13N3OS

Molecular Weight:

187.2626

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Product Description

Catalog Number:

AG019J8F

Chemical Name:

5-[1-(dimethylamino)propyl]-1,3,4-oxadiazole-2-thiol

CAS Number:

749906-86-3

Molecular Formula:

C7H13N3OS

Molecular Weight:

187.2626

MDL Number:

MFCD06336091

IUPAC Name:

5-[1-(dimethylamino)propyl]-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C7H13N3OS/c1-4-5(10(2)3)6-8-9-7(12)11-6/h5H,4H2,1-3H3,(H,9,12)

InChI Key:

CEGORZBYZGUULV-UHFFFAOYSA-N

SMILES:

CCC(c1nnc(o1)S)N(C)C

Properties

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.261g/mol

Monoisotopic Mass:

187.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^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