1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one

C13H14N4O2S — CID 174401992

IUPAC1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1nsnc1-c1cccnc1
InChIInChI=1S/C13H14N4O2S/c18-11-4-2-6-17(11)7-8-19-13-12(15-20-16-13)10-3-1-5-14-9-10/h1,3,5,9H,2,4,6-8H2
InChIKeyHWGGWYLMCAWSMU-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.60
Rot. Bonds5

About 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one

1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one (PubChem CID 174401992) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one
PubChem CID174401992
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1nsnc1-c1cccnc1
InChIInChI=1S/C13H14N4O2S/c18-11-4-2-6-17(11)7-8-19-13-12(15-20-16-13)10-3-1-5-14-9-10/h1,3,5,9H,2,4,6-8H2
InChIKeyHWGGWYLMCAWSMU-UHFFFAOYSA-N
XLogP1.60
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one (CID 174401992) is 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1nsnc1-c1cccnc1.
What is the InChIKey of 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one?
The InChIKey is HWGGWYLMCAWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-11-4-2-6-17(11)7-8-19-13-12(15-20-16-13)10-3-1-5-14-9-10/h1,3,5,9H,2,4,6-8H2.
What are the key properties of 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one?
1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one has a molecular weight of 290.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 174401992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).