5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C13H17NO4S — CID 3116437

IUPAC5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2NC(=O)C(C)S2)cc(OC)c1OC
InChIInChI=1S/C13H17NO4S/c1-7-12(15)14-13(19-7)8-5-9(16-2)11(18-4)10(6-8)17-3/h5-7,13H,1-4H3,(H,14,15)
InChIKeyKWPYXFDWIAPDAQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.96
Rot. Bonds4

About 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3116437) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3116437
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2NC(=O)C(C)S2)cc(OC)c1OC
InChIInChI=1S/C13H17NO4S/c1-7-12(15)14-13(19-7)8-5-9(16-2)11(18-4)10(6-8)17-3/h5-7,13H,1-4H3,(H,14,15)
InChIKeyKWPYXFDWIAPDAQ-UHFFFAOYSA-N
XLogP1.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3116437) is 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2NC(=O)C(C)S2)cc(OC)c1OC.
What is the InChIKey of 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is KWPYXFDWIAPDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-7-12(15)14-13(19-7)8-5-9(16-2)11(18-4)10(6-8)17-3/h5-7,13H,1-4H3,(H,14,15).
What are the key properties of 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 283.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3116437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).