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

C21H25NO4S — CID 2840150

IUPAC5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SC(C)C(=O)N2CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4S/c1-14-20(23)22(11-10-15-8-6-5-7-9-15)21(27-14)16-12-17(24-2)19(26-4)18(13-16)25-3/h5-9,12-14,21H,10-11H2,1-4H3
InChIKeyJBQKYTGEMKRVNN-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.92
Rot. Bonds7

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

5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2840150) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is 5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2840150
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SC(C)C(=O)N2CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4S/c1-14-20(23)22(11-10-15-8-6-5-7-9-15)21(27-14)16-12-17(24-2)19(26-4)18(13-16)25-3/h5-9,12-14,21H,10-11H2,1-4H3
InChIKeyJBQKYTGEMKRVNN-UHFFFAOYSA-N
XLogP3.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 2840150) is 5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SC(C)C(=O)N2CCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is JBQKYTGEMKRVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-14-20(23)22(11-10-15-8-6-5-7-9-15)21(27-14)16-12-17(24-2)19(26-4)18(13-16)25-3/h5-9,12-14,21H,10-11H2,1-4H3.
What are the key properties of 5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 387.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2840150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).