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

C16H16N2O3S2 — CID 3810429

IUPAC3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(CN2C(=O)CSC2c2ccccn2)cc1
InChIInChI=1S/C16H16N2O3S2/c1-23(20,21)13-7-5-12(6-8-13)10-18-15(19)11-22-16(18)14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3
InChIKeyITFCFWHLVKJWGT-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.26
Rot. Bonds4

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

3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 3810429) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID3810429
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(CN2C(=O)CSC2c2ccccn2)cc1
InChIInChI=1S/C16H16N2O3S2/c1-23(20,21)13-7-5-12(6-8-13)10-18-15(19)11-22-16(18)14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3
InChIKeyITFCFWHLVKJWGT-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one (CID 3810429) is 3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one is CS(=O)(=O)c1ccc(CN2C(=O)CSC2c2ccccn2)cc1.
What is the InChIKey of 3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is ITFCFWHLVKJWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-23(20,21)13-7-5-12(6-8-13)10-18-15(19)11-22-16(18)14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3.
What are the key properties of 3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-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 3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3810429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).