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

C18H26N2OS — CID 3447825

IUPAC2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCC(c1ccccc1)C1SCC(=O)N1CCN1CCCCC1
InChIInChI=1S/C18H26N2OS/c1-15(16-8-4-2-5-9-16)18-20(17(21)14-22-18)13-12-19-10-6-3-7-11-19/h2,4-5,8-9,15,18H,3,6-7,10-14H2,1H3
InChIKeyLWOSPJOSRSNAOB-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.18
Rot. Bonds5

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

2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 3447825) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID3447825
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCC(c1ccccc1)C1SCC(=O)N1CCN1CCCCC1
InChIInChI=1S/C18H26N2OS/c1-15(16-8-4-2-5-9-16)18-20(17(21)14-22-18)13-12-19-10-6-3-7-11-19/h2,4-5,8-9,15,18H,3,6-7,10-14H2,1H3
InChIKeyLWOSPJOSRSNAOB-UHFFFAOYSA-N
XLogP3.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile
CID 3766217
3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one
CID 5195728
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 91174309
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058
2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2871934
2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2881512
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 10271267
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 23988752

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 3447825) is 2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is CC(c1ccccc1)C1SCC(=O)N1CCN1CCCCC1.
What is the InChIKey of 2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is LWOSPJOSRSNAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-15(16-8-4-2-5-9-16)18-20(17(21)14-22-18)13-12-19-10-6-3-7-11-19/h2,4-5,8-9,15,18H,3,6-7,10-14H2,1H3.
What are the key properties of 2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 318.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3447825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).