2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

C18H19NO3S — CID 4055125

IUPAC2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2c2ccc(C)cc2)c1OC
InChIInChI=1S/C18H19NO3S/c1-12-7-9-13(10-8-12)19-16(20)11-23-18(19)14-5-4-6-15(21-2)17(14)22-3/h4-10,18H,11H2,1-3H3
InChIKeyKILCHFUYZIRADV-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.79
Rot. Bonds4

About 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 4055125) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID4055125
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2c2ccc(C)cc2)c1OC
InChIInChI=1S/C18H19NO3S/c1-12-7-9-13(10-8-12)19-16(20)11-23-18(19)14-5-4-6-15(21-2)17(14)22-3/h4-10,18H,11H2,1-3H3
InChIKeyKILCHFUYZIRADV-UHFFFAOYSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 4055125) is 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is COc1cccc(C2SCC(=O)N2c2ccc(C)cc2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is KILCHFUYZIRADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-12-7-9-13(10-8-12)19-16(20)11-23-18(19)14-5-4-6-15(21-2)17(14)22-3/h4-10,18H,11H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 329.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4055125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).