3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C19H28N2O4S — CID 3475685

IUPAC3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CCN2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C19H28N2O4S/c1-23-15-11-14(12-16(24-2)18(15)25-3)19-21(17(22)13-26-19)10-9-20-7-5-4-6-8-20/h11-12,19H,4-10,13H2,1-3H3
InChIKeyWXUKFOWEGZUIDZ-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.77
Rot. Bonds7

About 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3475685) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3475685
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CCN2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C19H28N2O4S/c1-23-15-11-14(12-16(24-2)18(15)25-3)19-21(17(22)13-26-19)10-9-20-7-5-4-6-8-20/h11-12,19H,4-10,13H2,1-3H3
InChIKeyWXUKFOWEGZUIDZ-UHFFFAOYSA-N
XLogP2.77
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3475685) is 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SCC(=O)N2CCN2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is WXUKFOWEGZUIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-23-15-11-14(12-16(24-2)18(15)25-3)19-21(17(22)13-26-19)10-9-20-7-5-4-6-8-20/h11-12,19H,4-10,13H2,1-3H3.
What are the key properties of 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 380.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3475685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).