2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one

C13H17NO3S — CID 82092286

IUPAC2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(C)c(N2C(=O)C(C)(C)CS2(=O)=O)c1
InChIInChI=1S/C13H17NO3S/c1-9-5-6-10(2)11(7-9)14-12(15)13(3,4)8-18(14,16)17/h5-7H,8H2,1-4H3
InChIKeyFMBRPCNWXBEELE-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.01
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one

2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82092286) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82092286
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(C)c(N2C(=O)C(C)(C)CS2(=O)=O)c1
InChIInChI=1S/C13H17NO3S/c1-9-5-6-10(2)11(7-9)14-12(15)13(3,4)8-18(14,16)17/h5-7H,8H2,1-4H3
InChIKeyFMBRPCNWXBEELE-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 82088217
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-3-methylbenzoyl chloride
CID 16642616
4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42348615
N-(2,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide
CID 21005321
N-(3,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996826
N-(3,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004992
4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 117030024
N-(2,6-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997277
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 42348649
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 46307002
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 21005286
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 82134008

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 82092286) is 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is Cc1ccc(C)c(N2C(=O)C(C)(C)CS2(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is FMBRPCNWXBEELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-5-6-10(2)11(7-9)14-12(15)13(3,4)8-18(14,16)17/h5-7H,8H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 267.35 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82092286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).