2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one

C16H22N2O2S — CID 71696917

IUPAC2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(O)cc2)N1CCN1CCCCC1
InChIInChI=1S/C16H22N2O2S/c19-14-6-4-13(5-7-14)16-18(15(20)12-21-16)11-10-17-8-2-1-3-9-17/h4-7,16,19H,1-3,8-12H2
InChIKeyYJWLLMVETFPTCF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one

2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 71696917) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID71696917
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(O)cc2)N1CCN1CCCCC1
InChIInChI=1S/C16H22N2O2S/c19-14-6-4-13(5-7-14)16-18(15(20)12-21-16)11-10-17-8-2-1-3-9-17/h4-7,16,19H,1-3,8-12H2
InChIKeyYJWLLMVETFPTCF-UHFFFAOYSA-N
XLogP2.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 71696917) is 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(O)cc2)N1CCN1CCCCC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is YJWLLMVETFPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-14-6-4-13(5-7-14)16-18(15(20)12-21-16)11-10-17-8-2-1-3-9-17/h4-7,16,19H,1-3,8-12H2.
What are the key properties of 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 306.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71696917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).