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

C20H23NO4S — CID 2840926

IUPAC3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H23NO4S/c1-23-16-11-15(12-17(24-2)19(16)25-3)20-21(18(22)13-26-20)10-9-14-7-5-4-6-8-14/h4-8,11-12,20H,9-10,13H2,1-3H3
InChIKeyVMRXDYNNKODMKT-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.53
Rot. Bonds7

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

3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2840926) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2840926
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H23NO4S/c1-23-16-11-15(12-17(24-2)19(16)25-3)20-21(18(22)13-26-20)10-9-14-7-5-4-6-8-14/h4-8,11-12,20H,9-10,13H2,1-3H3
InChIKeyVMRXDYNNKODMKT-UHFFFAOYSA-N
XLogP3.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 2840926) is 3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SCC(=O)N2CCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is VMRXDYNNKODMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-23-16-11-15(12-17(24-2)19(16)25-3)20-21(18(22)13-26-20)10-9-14-7-5-4-6-8-14/h4-8,11-12,20H,9-10,13H2,1-3H3.
What are the key properties of 3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 373.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2840926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).