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

C16H16N2O3S2 — CID 134131351

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 Name2-(4-methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID134131351
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name2-(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
XLogP2.26
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
AS604872
CID 10152528
2-(2-Pyridyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolan-4-one
CID 2732594
3-(3,5-Dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4248964
3-{4-[4-(Methylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
CID 16413299
4-methyl-N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 6517406
1-{2-[(4-methylphenyl)sulfonyl]ethyl}-4-(1H-pyrrol-1-yl)piperidine
CID 2822484
(E)-N-methyl-3-(4-methylsulfonylphenyl)-N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 15049708
(E)-N-methyl-3-(4-methylsulfonylphenyl)-N-[4-(2-pyridin-2-ylethylsulfamoyl)phenyl]prop-2-enamide
CID 15049709
N-[[4-(benzenesulfonyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 66609666
2-Phenyl-3-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731887
N~2~-(2-methylphenyl)-N~2~-(phenylsulfonyl)-N-[2-(pyridin-2-ylsulfanyl)ethyl]glycinamide
CID 2266421

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).