3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole

C11H12N4S — CID 175911341

IUPAC3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole
SMILESc1nc(-c2ccc(N3CCCC3)nc2)ns1
InChIInChI=1S/C11H12N4S/c1-2-6-15(5-1)10-4-3-9(7-12-10)11-13-8-16-14-11/h3-4,7-8H,1-2,5-6H2
InChIKeyKLCVBENVDHGQSJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.20
Rot. Bonds2

About 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole

3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole (PubChem CID 175911341) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole
PubChem CID175911341
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole
SMILESc1nc(-c2ccc(N3CCCC3)nc2)ns1
InChIInChI=1S/C11H12N4S/c1-2-6-15(5-1)10-4-3-9(7-12-10)11-13-8-16-14-11/h3-4,7-8H,1-2,5-6H2
InChIKeyKLCVBENVDHGQSJ-UHFFFAOYSA-N
XLogP2.20
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole (CID 175911341) is 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole is c1nc(-c2ccc(N3CCCC3)nc2)ns1.
What is the InChIKey of 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole?
The InChIKey is KLCVBENVDHGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-2-6-15(5-1)10-4-3-9(7-12-10)11-13-8-16-14-11/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole?
3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole has a molecular weight of 232.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole is sourced from PubChem (CID 175911341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).