2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole

C8H8N2OS2 — CID 130694723

IUPAC2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(CSc2cccs2)o1
InChIInChI=1S/C8H8N2OS2/c1-6-9-10-7(11-6)5-13-8-3-2-4-12-8/h2-4H,5H2,1H3
InChIKeyBNLANUGKXHIUMJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.73
Rot. Bonds3

About 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole

2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 130694723) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID130694723
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(CSc2cccs2)o1
InChIInChI=1S/C8H8N2OS2/c1-6-9-10-7(11-6)5-13-8-3-2-4-12-8/h2-4H,5H2,1H3
InChIKeyBNLANUGKXHIUMJ-UHFFFAOYSA-N
XLogP2.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 130694723) is 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole is Cc1nnc(CSc2cccs2)o1.
What is the InChIKey of 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is BNLANUGKXHIUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c1-6-9-10-7(11-6)5-13-8-3-2-4-12-8/h2-4H,5H2,1H3.
What are the key properties of 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 212.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 130694723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).