2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile

C18H23N3OS — CID 3766217

IUPAC2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)C1SCC(=O)N1CCN1CCCCC1
InChIInChI=1S/C18H23N3OS/c19-13-16(15-7-3-1-4-8-15)18-21(17(22)14-23-18)12-11-20-9-5-2-6-10-20/h1,3-4,7-8,16,18H,2,5-6,9-12,14H2
InChIKeyRZWSAYJJNRHVCA-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.68
Rot. Bonds5

About 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile

2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile (PubChem CID 3766217) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile
PubChem CID3766217
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)C1SCC(=O)N1CCN1CCCCC1
InChIInChI=1S/C18H23N3OS/c19-13-16(15-7-3-1-4-8-15)18-21(17(22)14-23-18)12-11-20-9-5-2-6-10-20/h1,3-4,7-8,16,18H,2,5-6,9-12,14H2
InChIKeyRZWSAYJJNRHVCA-UHFFFAOYSA-N
XLogP2.68
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile (CID 3766217) is 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile is N#CC(c1ccccc1)C1SCC(=O)N1CCN1CCCCC1.
What is the InChIKey of 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile?
The InChIKey is RZWSAYJJNRHVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c19-13-16(15-7-3-1-4-8-15)18-21(17(22)14-23-18)12-11-20-9-5-2-6-10-20/h1,3-4,7-8,16,18H,2,5-6,9-12,14H2.
What are the key properties of 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile?
2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile has a molecular weight of 329.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile is sourced from PubChem (CID 3766217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).