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

C17H24N2OS2 — CID 3396491

IUPAC2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2CCN2CCCCC2)cc1
InChIInChI=1S/C17H24N2OS2/c1-21-15-7-5-14(6-8-15)17-19(16(20)13-22-17)12-11-18-9-3-2-4-10-18/h5-8,17H,2-4,9-13H2,1H3
InChIKeyZJQAPVWREJYGOR-UHFFFAOYSA-N
MW336.53 g/mol
LogP3.47
Rot. Bonds5

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

2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 3396491) has the molecular formula C17H24N2OS2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID3396491
Molecular FormulaC17H24N2OS2
Molecular Weight336.53 g/mol
Exact Mass336.13
IUPAC Name2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2CCN2CCCCC2)cc1
InChIInChI=1S/C17H24N2OS2/c1-21-15-7-5-14(6-8-15)17-19(16(20)13-22-17)12-11-18-9-3-2-4-10-18/h5-8,17H,2-4,9-13H2,1H3
InChIKeyZJQAPVWREJYGOR-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 3396491) is 2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2CCN2CCCCC2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is ZJQAPVWREJYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS2/c1-21-15-7-5-14(6-8-15)17-19(16(20)13-22-17)12-11-18-9-3-2-4-10-18/h5-8,17H,2-4,9-13H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 336.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3396491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).