3-pyridin-2-yl-1,3-thiazolidin-2-one

C8H8N2OS — CID 138392243

IUPAC3-pyridin-2-yl-1,3-thiazolidin-2-one
SMILESO=C1SCCN1c1ccccn1
InChIInChI=1S/C8H8N2OS/c11-8-10(5-6-12-8)7-3-1-2-4-9-7/h1-4H,5-6H2
InChIKeyJQTAOCVPMIQKOR-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.75
Rot. Bonds1

About 3-pyridin-2-yl-1,3-thiazolidin-2-one

3-pyridin-2-yl-1,3-thiazolidin-2-one (PubChem CID 138392243) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-pyridin-2-yl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-pyridin-2-yl-1,3-thiazolidin-2-one
PubChem CID138392243
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3-pyridin-2-yl-1,3-thiazolidin-2-one
SMILESO=C1SCCN1c1ccccn1
InChIInChI=1S/C8H8N2OS/c11-8-10(5-6-12-8)7-3-1-2-4-9-7/h1-4H,5-6H2
InChIKeyJQTAOCVPMIQKOR-UHFFFAOYSA-N
XLogP1.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1,3-thiazolidin-2-one?
The IUPAC name of 3-pyridin-2-yl-1,3-thiazolidin-2-one (CID 138392243) is 3-pyridin-2-yl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-pyridin-2-yl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-pyridin-2-yl-1,3-thiazolidin-2-one is O=C1SCCN1c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-1,3-thiazolidin-2-one?
The InChIKey is JQTAOCVPMIQKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c11-8-10(5-6-12-8)7-3-1-2-4-9-7/h1-4H,5-6H2.
What are the key properties of 3-pyridin-2-yl-1,3-thiazolidin-2-one?
3-pyridin-2-yl-1,3-thiazolidin-2-one has a molecular weight of 180.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1,3-thiazolidin-2-one is sourced from PubChem (CID 138392243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).