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

C7H8N4S — CID 82408923

IUPAC5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile
SMILESN#Cc1nsc(N2CCCC2)n1
InChIInChI=1S/C7H8N4S/c8-5-6-9-7(12-10-6)11-3-1-2-4-11/h1-4H2
InChIKeyYPNAYEADVCHJSJ-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.01
Rot. Bonds1

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

5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile (PubChem CID 82408923) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile
PubChem CID82408923
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile
SMILESN#Cc1nsc(N2CCCC2)n1
InChIInChI=1S/C7H8N4S/c8-5-6-9-7(12-10-6)11-3-1-2-4-11/h1-4H2
InChIKeyYPNAYEADVCHJSJ-UHFFFAOYSA-N
XLogP1.01
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile?
The IUPAC name of 5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile (CID 82408923) is 5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile.
What is the SMILES notation for 5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile?
The canonical SMILES for 5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile is N#Cc1nsc(N2CCCC2)n1.
What is the InChIKey of 5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile?
The InChIKey is YPNAYEADVCHJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-5-6-9-7(12-10-6)11-3-1-2-4-11/h1-4H2.
What are the key properties of 5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile?
5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile has a molecular weight of 180.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-1,2,4-thiadiazole-3-carbonitrile is sourced from PubChem (CID 82408923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).