4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one

C13H17NO3S — CID 82092284

IUPAC4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one
SMILESCc1cc(C)c(N2C(=O)C(C)CS2(=O)=O)c(C)c1
InChIInChI=1S/C13H17NO3S/c1-8-5-9(2)12(10(3)6-8)14-13(15)11(4)7-18(14,16)17/h5-6,11H,7H2,1-4H3
InChIKeyPIDOZHUUEWUCRG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.92
Rot. Bonds1

About 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one

4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one (PubChem CID 82092284) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one
PubChem CID82092284
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one
SMILESCc1cc(C)c(N2C(=O)C(C)CS2(=O)=O)c(C)c1
InChIInChI=1S/C13H17NO3S/c1-8-5-9(2)12(10(3)6-8)14-13(15)11(4)7-18(14,16)17/h5-6,11H,7H2,1-4H3
InChIKeyPIDOZHUUEWUCRG-UHFFFAOYSA-N
XLogP1.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42348031
2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 82134019
N-(2,4-dimethylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824288
2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21005844
2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 82094848
4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one
CID 82092283
N-methoxy-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110421080
N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282
N-(3-methylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347887
N-[(2-methylphenyl)methyl]-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347170
N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347946
(5R)-5-methyl-3-(2,4,6-trimethylphenyl)imidazolidine-2,4-dione
CID 131844727

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one?
The IUPAC name of 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one (CID 82092284) is 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one.
What is the SMILES notation for 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one?
The canonical SMILES for 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one is Cc1cc(C)c(N2C(=O)C(C)CS2(=O)=O)c(C)c1.
What is the InChIKey of 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one?
The InChIKey is PIDOZHUUEWUCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8-5-9(2)12(10(3)6-8)14-13(15)11(4)7-18(14,16)17/h5-6,11H,7H2,1-4H3.
What are the key properties of 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one?
4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one has a molecular weight of 267.35 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one is sourced from PubChem (CID 82092284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).