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

C20H23NO4S — CID 2840042

IUPAC3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SC(C)C(=O)N2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H23NO4S/c1-13-19(22)21(12-14-8-6-5-7-9-14)20(26-13)15-10-16(23-2)18(25-4)17(11-15)24-3/h5-11,13,20H,12H2,1-4H3
InChIKeyAAJJHHGUJSAWSK-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.88
Rot. Bonds6

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

3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2840042) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2840042
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SC(C)C(=O)N2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H23NO4S/c1-13-19(22)21(12-14-8-6-5-7-9-14)20(26-13)15-10-16(23-2)18(25-4)17(11-15)24-3/h5-11,13,20H,12H2,1-4H3
InChIKeyAAJJHHGUJSAWSK-UHFFFAOYSA-N
XLogP3.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 2840042) is 3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SC(C)C(=O)N2Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is AAJJHHGUJSAWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-13-19(22)21(12-14-8-6-5-7-9-14)20(26-13)15-10-16(23-2)18(25-4)17(11-15)24-3/h5-11,13,20H,12H2,1-4H3.
What are the key properties of 3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 373.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2840042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).