4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one

C13H17NO3S — CID 82092283

IUPAC4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C13H17NO3S/c1-9(2)11-4-6-12(7-5-11)14-13(15)10(3)8-18(14,16)17/h4-7,9-10H,8H2,1-3H3
InChIKeySUZFCEUEFPFKHB-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.12
Rot. Bonds2

About 4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one

4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one (PubChem CID 82092283) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one
PubChem CID82092283
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C13H17NO3S/c1-9(2)11-4-6-12(7-5-11)14-13(15)10(3)8-18(14,16)17/h4-7,9-10H,8H2,1-3H3
InChIKeySUZFCEUEFPFKHB-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one?
The IUPAC name of 4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one (CID 82092283) is 4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one.
What is the SMILES notation for 4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one?
The canonical SMILES for 4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one is CC1CS(=O)(=O)N(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one?
The InChIKey is SUZFCEUEFPFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9(2)11-4-6-12(7-5-11)14-13(15)10(3)8-18(14,16)17/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one?
4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one has a molecular weight of 267.35 g/mol, XLogP of 2.12, 2 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-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one is sourced from PubChem (CID 82092283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).