2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine

C19H32N4O2S — CID 51360658

IUPAC2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(CCc3ccccc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C19H32N4O2S/c1-20(2)10-11-21-12-14-22(15-13-21)19-16-23(26(24,25)17-19)9-8-18-6-4-3-5-7-18/h3-7,19H,8-17H2,1-2H3
InChIKeyXAOGIDPKGCGREN-UHFFFAOYSA-N
MW380.56 g/mol
LogP0.42
Rot. Bonds7

About 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 51360658) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID51360658
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC Name2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(CCc3ccccc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C19H32N4O2S/c1-20(2)10-11-21-12-14-22(15-13-21)19-16-23(26(24,25)17-19)9-8-18-6-4-3-5-7-18/h3-7,19H,8-17H2,1-2H3
InChIKeyXAOGIDPKGCGREN-UHFFFAOYSA-N
XLogP0.42
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 51360658) is 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(C2CN(CCc3ccccc3)S(=O)(=O)C2)CC1.
What is the InChIKey of 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is XAOGIDPKGCGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-20(2)10-11-21-12-14-22(15-13-21)19-16-23(26(24,25)17-19)9-8-18-6-4-3-5-7-18/h3-7,19H,8-17H2,1-2H3.
What are the key properties of 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 380.56 g/mol, XLogP of 0.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 51360658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).