3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one

C19H21NO2S — CID 87150981

IUPAC3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1SC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H21NO2S/c1-19(2)18(21)20(13-14-9-5-4-6-10-14)17(23-19)15-11-7-8-12-16(15)22-3/h4-12,17H,13H2,1-3H3
InChIKeyXVKOYCASVSTTEN-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.25
Rot. Bonds4

About 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one

3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one (PubChem CID 87150981) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one
PubChem CID87150981
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1SC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H21NO2S/c1-19(2)18(21)20(13-14-9-5-4-6-10-14)17(23-19)15-11-7-8-12-16(15)22-3/h4-12,17H,13H2,1-3H3
InChIKeyXVKOYCASVSTTEN-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 87150798
(4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one
CID 2484106
1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667223
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
(2S,5R)-1-benzyl-5-hydroxy-2-(2-methoxyphenyl)-5-methylpiperidin-4-one
CID 95988908
(2S,4S)-2-(2-methoxyphenyl)-5,5-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 14617887
(2S,3R)-1-(benzenesulfonyl)-4-benzyl-3-(2-methoxyphenyl)-5-oxopiperazine-2-carboxylic acid
CID 162407363
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 12968985
2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 87151052
2-benzyl-3-(3,5-dimethoxyanilino)-3H-isoindol-1-one
CID 20866652

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one (CID 87150981) is 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one is COc1ccccc1C1SC(C)(C)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is XVKOYCASVSTTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-19(2)18(21)20(13-14-9-5-4-6-10-14)17(23-19)15-11-7-8-12-16(15)22-3/h4-12,17H,13H2,1-3H3.
What are the key properties of 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one?
3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 327.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 87150981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).