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

C16H24FN3O3S — CID 51360635

IUPAC2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol
SMILESO=S1(=O)CC(N2CCN(CCO)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H24FN3O3S/c17-15-3-1-14(2-4-15)11-20-12-16(13-24(20,22)23)19-7-5-18(6-8-19)9-10-21/h1-4,16,21H,5-13H2
InChIKeyBHHUXYVOLCGFQJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP-0.05
Rot. Bonds5

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

2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 51360635) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol
PubChem CID51360635
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol
SMILESO=S1(=O)CC(N2CCN(CCO)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H24FN3O3S/c17-15-3-1-14(2-4-15)11-20-12-16(13-24(20,22)23)19-7-5-18(6-8-19)9-10-21/h1-4,16,21H,5-13H2
InChIKeyBHHUXYVOLCGFQJ-UHFFFAOYSA-N
XLogP-0.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol (CID 51360635) is 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol is O=S1(=O)CC(N2CCN(CCO)CC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is BHHUXYVOLCGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c17-15-3-1-14(2-4-15)11-20-12-16(13-24(20,22)23)19-7-5-18(6-8-19)9-10-21/h1-4,16,21H,5-13H2.
What are the key properties of 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 357.45 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 51360635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).