2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole

C11H12N2O3S — CID 859571

IUPAC2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(SC)o2)c(OC)c1
InChIInChI=1S/C11H12N2O3S/c1-14-7-4-5-8(9(6-7)15-2)10-12-13-11(16-10)17-3/h4-6H,1-3H3
InChIKeySNKUCPGLOFLCTO-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.48
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole

2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole (PubChem CID 859571) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
PubChem CID859571
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(SC)o2)c(OC)c1
InChIInChI=1S/C11H12N2O3S/c1-14-7-4-5-8(9(6-7)15-2)10-12-13-11(16-10)17-3/h4-6H,1-3H3
InChIKeySNKUCPGLOFLCTO-UHFFFAOYSA-N
XLogP2.48
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole (CID 859571) is 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole is COc1ccc(-c2nnc(SC)o2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The InChIKey is SNKUCPGLOFLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-14-7-4-5-8(9(6-7)15-2)10-12-13-11(16-10)17-3/h4-6H,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole has a molecular weight of 252.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5-methylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 859571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).