3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C13H23F3N4O3S — CID 120811561

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120811561) has the molecular formula C13H23F3N4O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

• Compound Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
• PubChem CID: 120811561
• Molecular Formula: C13H23F3N4O3S
• Molecular Weight: 372.41 g/mol
• Exact Mass: 372.14
• IUPAC Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
• SMILES: O=C(CCN1CCCS1(=O)=O)NCC(N1CCNCC1)C(F)(F)F
• InChI: InChI=1S/C13H23F3N4O3S/c14-13(15,16)11(19-7-3-17-4-8-19)10-18-12(21)2-6-20-5-1-9-24(20,22)23/h11,17H,1-10H2,(H,18,21)
• InChIKey: VGBCQQPABPGJKH-UHFFFAOYSA-N
• XLogP: -0.64
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.41
LogP ≤ 5	-0.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?

The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120811561) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?

The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is O=C(CCN1CCCS1(=O)=O)NCC(N1CCNCC1)C(F)(F)F.

What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?

The InChIKey is VGBCQQPABPGJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O3S/c14-13(15,16)11(19-7-3-17-4-8-19)10-18-12(21)2-6-20-5-1-9-24(20,22)23/h11,17H,1-10H2,(H,18,21).

What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 372.41 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).