2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one

C15H22N2O3S — CID 42795938

About 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one

2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one (PubChem CID 42795938) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
• PubChem CID: 42795938
• Molecular Formula: C15H22N2O3S
• Molecular Weight: 310.42 g/mol
• Exact Mass: 310.14
• IUPAC Name: 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
• SMILES: CNCCN1C(=O)C(C)SC1c1cc(OC)ccc1OC
• InChI: InChI=1S/C15H22N2O3S/c1-10-14(18)17(8-7-16-2)15(21-10)12-9-11(19-3)5-6-13(12)20-4/h5-6,9-10,15-16H,7-8H2,1-4H3
• InChIKey: LCTQDHFENFDZBJ-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.42
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?

The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one (CID 42795938) is 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?

The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one is CNCCN1C(=O)C(C)SC1c1cc(OC)ccc1OC.

What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?

The InChIKey is LCTQDHFENFDZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-14(18)17(8-7-16-2)15(21-10)12-9-11(19-3)5-6-13(12)20-4/h5-6,9-10,15-16H,7-8H2,1-4H3.

What are the key properties of 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?

2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 310.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42795938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).