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

C10H10N2OS — CID 19060529

IUPAC2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C10H10N2OS/c1-7-5-3-4-6-8(7)9-11-12-10(13-9)14-2/h3-6H,1-2H3
InChIKeyFQUYEIVOWACUPJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.77
Rot. Bonds2

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

2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole (PubChem CID 19060529) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
PubChem CID19060529
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C10H10N2OS/c1-7-5-3-4-6-8(7)9-11-12-10(13-9)14-2/h3-6H,1-2H3
InChIKeyFQUYEIVOWACUPJ-UHFFFAOYSA-N
XLogP2.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole (CID 19060529) is 2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole is CSc1nnc(-c2ccccc2C)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The InChIKey is FQUYEIVOWACUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-5-3-4-6-8(7)9-11-12-10(13-9)14-2/h3-6H,1-2H3.
What are the key properties of 2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole has a molecular weight of 206.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 19060529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).