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

C8H13N3S — CID 91187282

IUPAC3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2)n1
InChIInChI=1S/C8H13N3S/c1-2-7-9-8(12-10-7)11-5-3-4-6-11/h2-6H2,1H3
InChIKeyOXROEECBRSFHDL-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.70
Rot. Bonds2

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

3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole (PubChem CID 91187282) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole
PubChem CID91187282
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2)n1
InChIInChI=1S/C8H13N3S/c1-2-7-9-8(12-10-7)11-5-3-4-6-11/h2-6H2,1H3
InChIKeyOXROEECBRSFHDL-UHFFFAOYSA-N
XLogP1.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole (CID 91187282) is 3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole is CCc1nsc(N2CCCC2)n1.
What is the InChIKey of 3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole?
The InChIKey is OXROEECBRSFHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-7-9-8(12-10-7)11-5-3-4-6-11/h2-6H2,1H3.
What are the key properties of 3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole?
3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-pyrrolidin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 91187282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).