3-pyridin-3-yl-1,3-thiazolidin-4-one

C8H8N2OS — CID 54312151

IUPAC3-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1cccnc1
InChIInChI=1S/C8H8N2OS/c11-8-5-12-6-10(8)7-2-1-3-9-4-7/h1-4H,5-6H2
InChIKeySLQKUQVXDIHHGQ-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.12
Rot. Bonds1

About 3-pyridin-3-yl-1,3-thiazolidin-4-one

3-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 54312151) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID54312151
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1cccnc1
InChIInChI=1S/C8H8N2OS/c11-8-5-12-6-10(8)7-2-1-3-9-4-7/h1-4H,5-6H2
InChIKeySLQKUQVXDIHHGQ-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-pyridin-3-yl-1,3-thiazolidin-4-one (CID 54312151) is 3-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CSCN1c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is SLQKUQVXDIHHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c11-8-5-12-6-10(8)7-2-1-3-9-4-7/h1-4H,5-6H2.
What are the key properties of 3-pyridin-3-yl-1,3-thiazolidin-4-one?
3-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 180.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 54312151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).