2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole

C9H9N3OS — CID 1467877

IUPAC2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCSc1nnc(Cc2ccccn2)o1
InChIInChI=1S/C9H9N3OS/c1-14-9-12-11-8(13-9)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3
InChIKeyNBKQBXKUGQPCEH-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.78
Rot. Bonds3

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

2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 1467877) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID1467877
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCSc1nnc(Cc2ccccn2)o1
InChIInChI=1S/C9H9N3OS/c1-14-9-12-11-8(13-9)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3
InChIKeyNBKQBXKUGQPCEH-UHFFFAOYSA-N
XLogP1.78
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole (CID 1467877) is 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole is CSc1nnc(Cc2ccccn2)o1.
What is the InChIKey of 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is NBKQBXKUGQPCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-14-9-12-11-8(13-9)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3.
What are the key properties of 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 207.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1467877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).