2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C11H12N6OS2 — CID 24850836

IUPAC2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCSc1nnc(CSc2nc3nc(C)ccn3n2)o1
InChIInChI=1S/C11H12N6OS2/c1-3-19-11-15-14-8(18-11)6-20-10-13-9-12-7(2)4-5-17(9)16-10/h4-5H,3,6H2,1-2H3
InChIKeyKFGYPCKZLIQIOE-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.22
Rot. Bonds5

About 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 24850836) has the molecular formula C11H12N6OS2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID24850836
Molecular FormulaC11H12N6OS2
Molecular Weight308.39 g/mol
Exact Mass308.05
IUPAC Name2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCSc1nnc(CSc2nc3nc(C)ccn3n2)o1
InChIInChI=1S/C11H12N6OS2/c1-3-19-11-15-14-8(18-11)6-20-10-13-9-12-7(2)4-5-17(9)16-10/h4-5H,3,6H2,1-2H3
InChIKeyKFGYPCKZLIQIOE-UHFFFAOYSA-N
XLogP2.22
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 24850836) is 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is CCSc1nnc(CSc2nc3nc(C)ccn3n2)o1.
What is the InChIKey of 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is KFGYPCKZLIQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS2/c1-3-19-11-15-14-8(18-11)6-20-10-13-9-12-7(2)4-5-17(9)16-10/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 308.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24850836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).