2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one

C21H25NO2S — CID 44418146

IUPAC2-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1,3-thiazolidin-4-one
SMILESCC1=C(C=C(C=C1)C2(N(C(=O)CS2)CCC3=CC=C(C=C3)OC)C)C
InChIInChI=1S/C21H25NO2S/c1-15-5-8-18(13-16(15)2)21(3)22(20(23)14-25-21)12-11-17-6-9-19(24-4)10-7-17/h5-10,13H,11-12,14H2,1-4H3
InChIKeyJZFNWTIJEGVREY-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.60
Rot. Bonds5

About 2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one

2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one (PubChem CID 44418146) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one
PubChem CID44418146
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name2-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1,3-thiazolidin-4-one
SMILESCC1=C(C=C(C=C1)C2(N(C(=O)CS2)CCC3=CC=C(C=C3)OC)C)C
InChIInChI=1S/C21H25NO2S/c1-15-5-8-18(13-16(15)2)21(3)22(20(23)14-25-21)12-11-17-6-9-19(24-4)10-7-17/h5-10,13H,11-12,14H2,1-4H3
InChIKeyJZFNWTIJEGVREY-UHFFFAOYSA-N
XLogP4.60
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity463

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methoxybenzyloxy)-2-phenylthiazolidin-4-one
CID 44418200
2-(4-Fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
2-(3,4-Dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 9906009
3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 2860044
3-[3-(Dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one hydrochloride
CID 2860932
2-(3,4-Dimethylphenyl)-3-[(4-methoxyphenyl)methoxy]-1,3-thiazolidin-4-one
CID 44418119
1-(2-(3,4-Dimethylphenyl)thiazolidin-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 44418123
3-(4-Methoxyphenethyl)-2-methyl-2-p-tolylthiazolidin-4-one
CID 44418140
1-[2-(3,4-Dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethan-1-one
CID 44418144
2-(3,4-Dimethylphenyl)-3-[(3-methoxyphenyl)methoxy]-1,3-thiazolidin-4-one
CID 44418167
3'-[2-(4-Methoxyphenyl)ethyl]-7-methylspiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]-4'-one
CID 44418172
2-(3,4-Dimethylphenyl)-3-[(2-methoxyphenyl)methoxy]-1,3-thiazolidin-4-one
CID 44418196

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one?
The IUPAC name of 2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one (CID 44418146) is 2-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one?
The canonical SMILES for 2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one is CC1=C(C=C(C=C1)C2(N(C(=O)CS2)CCC3=CC=C(C=C3)OC)C)C.
What is the InChIKey of 2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one?
The InChIKey is JZFNWTIJEGVREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-15-5-8-18(13-16(15)2)21(3)22(20(23)14-25-21)12-11-17-6-9-19(24-4)10-7-17/h5-10,13H,11-12,14H2,1-4H3.
What are the key properties of 2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one?
2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one has a molecular weight of 355.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one is sourced from PubChem (CID 44418146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).