dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane

C7H9N5O2S — CID 134995412

IUPACdimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane
SMILESCc1nc(-c2noc(N=S(C)C)n2)no1
InChIInChI=1S/C7H9N5O2S/c1-4-8-5(10-13-4)6-9-7(14-11-6)12-15(2)3/h1-3H3
InChIKeyAOMWEWXNPCGHNJ-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.12
Rot. Bonds2

About dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane

dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane (PubChem CID 134995412) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane
PubChem CID134995412
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Namedimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane
SMILESCc1nc(-c2noc(N=S(C)C)n2)no1
InChIInChI=1S/C7H9N5O2S/c1-4-8-5(10-13-4)6-9-7(14-11-6)12-15(2)3/h1-3H3
InChIKeyAOMWEWXNPCGHNJ-UHFFFAOYSA-N
XLogP1.12
TPSA90.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane?
The IUPAC name of dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane (CID 134995412) is dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane.
What is the SMILES notation for dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane?
The canonical SMILES for dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane is Cc1nc(-c2noc(N=S(C)C)n2)no1.
What is the InChIKey of dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane?
The InChIKey is AOMWEWXNPCGHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-4-8-5(10-13-4)6-9-7(14-11-6)12-15(2)3/h1-3H3.
What are the key properties of dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane?
dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane has a molecular weight of 227.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]imino]-λ4-sulfane is sourced from PubChem (CID 134995412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).