2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one

C13H17NO3S — CID 82134019

IUPAC2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(CN2C(=O)C(C)CS2(=O)=O)c(C)c1
InChIInChI=1S/C13H17NO3S/c1-9-4-5-12(10(2)6-9)7-14-13(15)11(3)8-18(14,16)17/h4-6,11H,7-8H2,1-3H3
InChIKeyCWMDYUVKYXSZGI-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.61
Rot. Bonds2

About 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one

2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82134019) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82134019
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(CN2C(=O)C(C)CS2(=O)=O)c(C)c1
InChIInChI=1S/C13H17NO3S/c1-9-4-5-12(10(2)6-9)7-14-13(15)11(3)8-18(14,16)17/h4-6,11H,7-8H2,1-3H3
InChIKeyCWMDYUVKYXSZGI-UHFFFAOYSA-N
XLogP1.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7S,9aR)-2-[(2,4-dimethylphenyl)methyl]-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56855951
N-(2,4-dimethylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824288
N-[(2,4-dimethylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83006518
1,2-bis[(2,4-dimethylphenyl)methyl]-4-nitropyrazolidine
CID 20519781
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786561
N-[(2-methylphenyl)methyl]-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347170
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42348031
1-[(2,4-dimethylphenyl)methyl]-6-oxopiperidine-3-carbonitrile
CID 116837935
2-[1-[(2,4-dimethylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684546
2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide
CID 82134039
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 82134019) is 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is Cc1ccc(CN2C(=O)C(C)CS2(=O)=O)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is CWMDYUVKYXSZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-4-5-12(10(2)6-9)7-14-13(15)11(3)8-18(14,16)17/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 267.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82134019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).