5-pyrrolidin-3-yl-1,2,4-thiadiazole

C6H9N3S — CID 82595706

IUPAC5-pyrrolidin-3-yl-1,2,4-thiadiazole
SMILESc1nsc(C2CCNC2)n1
InChIInChI=1S/C6H9N3S/c1-2-7-3-5(1)6-8-4-9-10-6/h4-5,7H,1-3H2
InChIKeyILWWJBJHRRGVJC-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.62
Rot. Bonds1

About 5-pyrrolidin-3-yl-1,2,4-thiadiazole

5-pyrrolidin-3-yl-1,2,4-thiadiazole (PubChem CID 82595706) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-1,2,4-thiadiazole
PubChem CID82595706
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name5-pyrrolidin-3-yl-1,2,4-thiadiazole
SMILESc1nsc(C2CCNC2)n1
InChIInChI=1S/C6H9N3S/c1-2-7-3-5(1)6-8-4-9-10-6/h4-5,7H,1-3H2
InChIKeyILWWJBJHRRGVJC-UHFFFAOYSA-N
XLogP0.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-1,2,4-thiadiazole?
The IUPAC name of 5-pyrrolidin-3-yl-1,2,4-thiadiazole (CID 82595706) is 5-pyrrolidin-3-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-pyrrolidin-3-yl-1,2,4-thiadiazole is c1nsc(C2CCNC2)n1.
What is the InChIKey of 5-pyrrolidin-3-yl-1,2,4-thiadiazole?
The InChIKey is ILWWJBJHRRGVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-7-3-5(1)6-8-4-9-10-6/h4-5,7H,1-3H2.
What are the key properties of 5-pyrrolidin-3-yl-1,2,4-thiadiazole?
5-pyrrolidin-3-yl-1,2,4-thiadiazole has a molecular weight of 155.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-1,2,4-thiadiazole is sourced from PubChem (CID 82595706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).