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

C15H14N2O3S2 — CID 134130536

IUPAC2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(C2SCC(=O)N2c2ccccn2)cc1
InChIInChI=1S/C15H14N2O3S2/c1-22(19,20)12-7-5-11(6-8-12)15-17(14(18)10-21-15)13-4-2-3-9-16-13/h2-9,15H,10H2,1H3
InChIKeyNEOVJRGGEBVOKZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.26
Rot. Bonds3

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

2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 134130536) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID134130536
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(C2SCC(=O)N2c2ccccn2)cc1
InChIInChI=1S/C15H14N2O3S2/c1-22(19,20)12-7-5-11(6-8-12)15-17(14(18)10-21-15)13-4-2-3-9-16-13/h2-9,15H,10H2,1H3
InChIKeyNEOVJRGGEBVOKZ-UHFFFAOYSA-N
XLogP2.26
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
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1-{[(4-Methylphenyl)thio]acetyl}-4-(2-pyridinyl)piperazine
CID 974706
1-(4-Methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
CID 4062849
(E)-3-[4-(methylthio)phenyl]-1-[4-(2-pyridyl)piperazino]prop-2-en-1-one
CID 24241823
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(2-pyridinyl)-
CID 486675
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486681
4-(5-{[(4-Methylphenyl)thio]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 2219801
N-(5-methylpyridin-2-yl)-3-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide
CID 16194218
2-(benzenesulfonyl)-N-pyridin-2-ylacetamide
CID 974461
N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)sulfonyl]acetamide
CID 1235786
1-{2-[(4-Methylphenyl)sulfonyl]ethyl}-4-(2-pyridinyl)piperazine
CID 2810705
N-Pyridin-2-yl-2-(toluene-4-sulfonyl)-acetamide
CID 3163424

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one (CID 134130536) is 2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one is CS(=O)(=O)c1ccc(C2SCC(=O)N2c2ccccn2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is NEOVJRGGEBVOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-22(19,20)12-7-5-11(6-8-12)15-17(14(18)10-21-15)13-4-2-3-9-16-13/h2-9,15H,10H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one?
2-(4-methylsulfonylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 334.42 g/mol, XLogP of 2.26, 3 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-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 134130536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).