3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one

C19H22N2OS — CID 5113911

IUPAC3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C2SCC(=O)N2CCc2ccccn2)c(C)c1
InChIInChI=1S/C19H22N2OS/c1-13-10-14(2)18(15(3)11-13)19-21(17(22)12-23-19)9-7-16-6-4-5-8-20-16/h4-6,8,10-11,19H,7,9,12H2,1-3H3
InChIKeyLVMJSIHYQFFNPG-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.82
Rot. Bonds4

About 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one

3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one (PubChem CID 5113911) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
PubChem CID5113911
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C2SCC(=O)N2CCc2ccccn2)c(C)c1
InChIInChI=1S/C19H22N2OS/c1-13-10-14(2)18(15(3)11-13)19-21(17(22)12-23-19)9-7-16-6-4-5-8-20-16/h4-6,8,10-11,19H,7,9,12H2,1-3H3
InChIKeyLVMJSIHYQFFNPG-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
CID 4986454
3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 3743315
3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 3671440
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4995229
3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 3684457
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 3831558
4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357169
5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one
CID 131883873
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 17408313
2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3766722
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one (CID 5113911) is 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one is Cc1cc(C)c(C2SCC(=O)N2CCc2ccccn2)c(C)c1.
What is the InChIKey of 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LVMJSIHYQFFNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13-10-14(2)18(15(3)11-13)19-21(17(22)12-23-19)9-7-16-6-4-5-8-20-16/h4-6,8,10-11,19H,7,9,12H2,1-3H3.
What are the key properties of 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 326.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5113911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).