2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

C16H14Cl2N2OS — CID 44563093

IUPAC2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2c(Cl)cccc2Cl)N(Cc2cccnc2)C1=O
InChIInChI=1S/C16H14Cl2N2OS/c1-10-15(21)20(9-11-4-3-7-19-8-11)16(22-10)14-12(17)5-2-6-13(14)18/h2-8,10,16H,9H2,1H3
InChIKeyLKXQTLAWFJJCNQ-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.55
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 44563093) has the molecular formula C16H14Cl2N2OS and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID44563093
Molecular FormulaC16H14Cl2N2OS
Molecular Weight353.27 g/mol
Exact Mass352.02
IUPAC Name2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2c(Cl)cccc2Cl)N(Cc2cccnc2)C1=O
InChIInChI=1S/C16H14Cl2N2OS/c1-10-15(21)20(9-11-4-3-7-19-8-11)16(22-10)14-12(17)5-2-6-13(14)18/h2-8,10,16H,9H2,1H3
InChIKeyLKXQTLAWFJJCNQ-UHFFFAOYSA-N
XLogP4.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (CID 44563093) is 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is CC1SC(c2c(Cl)cccc2Cl)N(Cc2cccnc2)C1=O.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is LKXQTLAWFJJCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2OS/c1-10-15(21)20(9-11-4-3-7-19-8-11)16(22-10)14-12(17)5-2-6-13(14)18/h2-8,10,16H,9H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 353.27 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44563093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).