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

C15H13Cl2NO2S — CID 25168714

IUPAC2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2c(Cl)cccc2Cl)N(Cc2ccco2)C1=O
InChIInChI=1S/C15H13Cl2NO2S/c1-9-14(19)18(8-10-4-3-7-20-10)15(21-9)13-11(16)5-2-6-12(13)17/h2-7,9,15H,8H2,1H3
InChIKeyIASDIJPYOACFTH-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.75
Rot. Bonds3

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

2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 25168714) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID25168714
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2c(Cl)cccc2Cl)N(Cc2ccco2)C1=O
InChIInChI=1S/C15H13Cl2NO2S/c1-9-14(19)18(8-10-4-3-7-20-10)15(21-9)13-11(16)5-2-6-12(13)17/h2-7,9,15H,8H2,1H3
InChIKeyIASDIJPYOACFTH-UHFFFAOYSA-N
XLogP4.75
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.75
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)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one (CID 25168714) is 2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one is CC1SC(c2c(Cl)cccc2Cl)N(Cc2ccco2)C1=O.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is IASDIJPYOACFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c1-9-14(19)18(8-10-4-3-7-20-10)15(21-9)13-11(16)5-2-6-12(13)17/h2-7,9,15H,8H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 342.25 g/mol, XLogP of 4.75, 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)-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 25168714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).