2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol

C16H25N3O3S — CID 51359863

IUPAC2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol
SMILESO=S1(=O)CC(N2CCN(CCO)CC2)CN1Cc1ccccc1
InChIInChI=1S/C16H25N3O3S/c20-11-10-17-6-8-18(9-7-17)16-13-19(23(21,22)14-16)12-15-4-2-1-3-5-15/h1-5,16,20H,6-14H2
InChIKeyALFGWGPOFGQALD-UHFFFAOYSA-N
MW339.46 g/mol
LogP-0.19
Rot. Bonds5

About 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol

2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 51359863) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol
PubChem CID51359863
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol
SMILESO=S1(=O)CC(N2CCN(CCO)CC2)CN1Cc1ccccc1
InChIInChI=1S/C16H25N3O3S/c20-11-10-17-6-8-18(9-7-17)16-13-19(23(21,22)14-16)12-15-4-2-1-3-5-15/h1-5,16,20H,6-14H2
InChIKeyALFGWGPOFGQALD-UHFFFAOYSA-N
XLogP-0.19
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol (CID 51359863) is 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol is O=S1(=O)CC(N2CCN(CCO)CC2)CN1Cc1ccccc1.
What is the InChIKey of 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is ALFGWGPOFGQALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-11-10-17-6-8-18(9-7-17)16-13-19(23(21,22)14-16)12-15-4-2-1-3-5-15/h1-5,16,20H,6-14H2.
What are the key properties of 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 339.46 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 51359863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).