2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C9H14N4O2S — CID 102703433

IUPAC2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCSCC(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C9H14N4O2S/c1-16-5-7(14)11-9-13-12-8(15-9)6-3-2-4-10-6/h6,10H,2-5H2,1H3,(H,11,13,14)
InChIKeyFENOZVVHNAVFAH-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.80
Rot. Bonds4

About 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 102703433) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID102703433
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCSCC(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C9H14N4O2S/c1-16-5-7(14)11-9-13-12-8(15-9)6-3-2-4-10-6/h6,10H,2-5H2,1H3,(H,11,13,14)
InChIKeyFENOZVVHNAVFAH-UHFFFAOYSA-N
XLogP0.80
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide 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-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 102703433) is 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CSCC(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is FENOZVVHNAVFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-16-5-7(14)11-9-13-12-8(15-9)6-3-2-4-10-6/h6,10H,2-5H2,1H3,(H,11,13,14).
What are the key properties of 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 242.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 102703433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).