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

C18H24N2OS — CID 91174309

IUPAC2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(C=Cc2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C18H24N2OS/c21-17-15-22-18(10-9-16-7-3-1-4-8-16)20(17)14-13-19-11-5-2-6-12-19/h1,3-4,7-10,18H,2,5-6,11-15H2
InChIKeyPCOJIPJSSCOZGJ-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.09
Rot. Bonds5

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

2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 91174309) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID91174309
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(C=Cc2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C18H24N2OS/c21-17-15-22-18(10-9-16-7-3-1-4-8-16)20(17)14-13-19-11-5-2-6-12-19/h1,3-4,7-10,18H,2,5-6,11-15H2
InChIKeyPCOJIPJSSCOZGJ-UHFFFAOYSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3447825
2-[4-oxo-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-2-yl]-2-phenylacetonitrile
CID 3766217
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058
(3R,5S)-1-methyl-5-[(E)-2-phenylethenyl]-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 86613732
2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2871934
2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 10271267
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 23988752
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 23818738
4-[3-(azepan-1-yl)-2-hydroxypropyl]-3-[(E)-2-phenylethenyl]-1,2,4-oxadiazolidin-5-one
CID 71607828
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795826

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 91174309) is 2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(C=Cc2ccccc2)N1CCN1CCCCC1.
What is the InChIKey of 2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is PCOJIPJSSCOZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c21-17-15-22-18(10-9-16-7-3-1-4-8-16)20(17)14-13-19-11-5-2-6-12-19/h1,3-4,7-10,18H,2,5-6,11-15H2.
What are the key properties of 2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 316.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 91174309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).