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

C6H9N3OS — CID 65275097

IUPAC5-pyrrolidin-3-yloxy-1,2,4-thiadiazole
SMILESc1nsc(OC2CCNC2)n1
InChIInChI=1S/C6H9N3OS/c1-2-7-3-5(1)10-6-8-4-9-11-6/h4-5,7H,1-3H2
InChIKeyHFTVEBMEFFWFEI-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.28
Rot. Bonds2

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

5-pyrrolidin-3-yloxy-1,2,4-thiadiazole (PubChem CID 65275097) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-pyrrolidin-3-yloxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yloxy-1,2,4-thiadiazole
PubChem CID65275097
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name5-pyrrolidin-3-yloxy-1,2,4-thiadiazole
SMILESc1nsc(OC2CCNC2)n1
InChIInChI=1S/C6H9N3OS/c1-2-7-3-5(1)10-6-8-4-9-11-6/h4-5,7H,1-3H2
InChIKeyHFTVEBMEFFWFEI-UHFFFAOYSA-N
XLogP0.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yloxy-1,2,4-thiadiazole?
The IUPAC name of 5-pyrrolidin-3-yloxy-1,2,4-thiadiazole (CID 65275097) is 5-pyrrolidin-3-yloxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-pyrrolidin-3-yloxy-1,2,4-thiadiazole?
The canonical SMILES for 5-pyrrolidin-3-yloxy-1,2,4-thiadiazole is c1nsc(OC2CCNC2)n1.
What is the InChIKey of 5-pyrrolidin-3-yloxy-1,2,4-thiadiazole?
The InChIKey is HFTVEBMEFFWFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-2-7-3-5(1)10-6-8-4-9-11-6/h4-5,7H,1-3H2.
What are the key properties of 5-pyrrolidin-3-yloxy-1,2,4-thiadiazole?
5-pyrrolidin-3-yloxy-1,2,4-thiadiazole has a molecular weight of 171.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yloxy-1,2,4-thiadiazole is sourced from PubChem (CID 65275097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).