2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole

C7H11N3OS — CID 62328978

IUPAC2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole
SMILESCc1nnc(SC2CCNC2)o1
InChIInChI=1S/C7H11N3OS/c1-5-9-10-7(11-5)12-6-2-3-8-4-6/h6,8H,2-4H2,1H3
InChIKeySMGWABVLEXPJOQ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.83
Rot. Bonds2

About 2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole

2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole (PubChem CID 62328978) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole
PubChem CID62328978
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole
SMILESCc1nnc(SC2CCNC2)o1
InChIInChI=1S/C7H11N3OS/c1-5-9-10-7(11-5)12-6-2-3-8-4-6/h6,8H,2-4H2,1H3
InChIKeySMGWABVLEXPJOQ-UHFFFAOYSA-N
XLogP0.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-pyrrolidin-3-ylsulfanyl-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-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole (CID 62328978) is 2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole is Cc1nnc(SC2CCNC2)o1.
What is the InChIKey of 2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole?
The InChIKey is SMGWABVLEXPJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5-9-10-7(11-5)12-6-2-3-8-4-6/h6,8H,2-4H2,1H3.
What are the key properties of 2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole?
2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole has a molecular weight of 185.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 62328978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).