3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride

C18H28ClN3O3S — CID 120740438

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 120740438) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride
• PubChem CID: 120740438
• Molecular Formula: C18H28ClN3O3S
• Molecular Weight: 401.96 g/mol
• Exact Mass: 401.15
• IUPAC Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride
• SMILES: CCc1ccc(C2CNCCN2C(=O)CCN2CCCS2(=O)=O)cc1.Cl
• InChI: InChI=1S/C18H27N3O3S.ClH/c1-2-15-4-6-16(7-5-15)17-14-19-9-12-21(17)18(22)8-11-20-10-3-13-25(20,23)24;/h4-7,17,19H,2-3,8-14H2,1H3;1H
• InChIKey: UIIULGQHUCAFOQ-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.96
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride?

The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 120740438) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride.

What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride?

The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride is CCc1ccc(C2CNCCN2C(=O)CCN2CCCS2(=O)=O)cc1.Cl.

What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride?

The InChIKey is UIIULGQHUCAFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c1-2-15-4-6-16(7-5-15)17-14-19-9-12-21(17)18(22)8-11-20-10-3-13-25(20,23)24;/h4-7,17,19H,2-3,8-14H2,1H3;1H.

What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride?

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120740438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).