2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

Name: 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₆N₂O₃S₂ — CID 134131351

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

SMILESCS(=O)(=O)c1ccc(C2SCC(=O)N2Cc2ccccn2)cc1

InChIInChI=1S/C16H16N2O3S2/c1-23(20,21)14-7-5-12(6-8-14)16-18(15(19)11-22-16)10-13-4-2-3-9-17-13/h2-9,16H,10-11H2,1H3

InChIKeyZGBRCZMNBKLUTF-UHFFFAOYSA-N

MW348.45 g/mol

LogP2.26

Rot. Bonds4

About 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 134131351) has the molecular formula C₁₆H₁₆N₂O₃S₂ and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name	2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID	134131351
Molecular Formula	C₁₆H₁₆N₂O₃S₂
Molecular Weight	348.45 g/mol
Exact Mass	348.06
IUPAC Name	2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
SMILES	CS(=O)(=O)c1ccc(C2SCC(=O)N2Cc2ccccn2)cc1
InChI	InChI=1S/C16H16N2O3S2/c1-23(20,21)14-7-5-12(6-8-14)16-18(15(19)11-22-16)10-13-4-2-3-9-17-13/h2-9,16H,10-11H2,1H3
InChIKey	ZGBRCZMNBKLUTF-UHFFFAOYSA-N
XLogP	2.26
TPSA	67.34 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one (CID 134131351) is 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?

The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one is CS(=O)(=O)c1ccc(C2SCC(=O)N2Cc2ccccn2)cc1.

What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?

The InChIKey is ZGBRCZMNBKLUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-23(20,21)14-7-5-12(6-8-14)16-18(15(19)11-22-16)10-13-4-2-3-9-17-13/h2-9,16H,10-11H2,1H3.

What are the key properties of 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?

2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 348.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 134131351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134131351 — identifiers, structure, computed properties (public domain)

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