1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone

C12H15NO3S — CID 79671269

IUPAC1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)CS2(=O)=O)cc1
InChIInChI=1S/C12H15NO3S/c1-9-7-13(17(15,16)8-9)12-5-3-11(4-6-12)10(2)14/h3-6,9H,7-8H2,1-2H3
InChIKeyOAQBKLKAGXLZFC-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.68
Rot. Bonds2

About 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone

1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone (PubChem CID 79671269) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone
PubChem CID79671269
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)CS2(=O)=O)cc1
InChIInChI=1S/C12H15NO3S/c1-9-7-13(17(15,16)8-9)12-5-3-11(4-6-12)10(2)14/h3-6,9H,7-8H2,1-2H3
InChIKeyOAQBKLKAGXLZFC-UHFFFAOYSA-N
XLogP1.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone (CID 79671269) is 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone is CC(=O)c1ccc(N2CC(C)CS2(=O)=O)cc1.
What is the InChIKey of 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone?
The InChIKey is OAQBKLKAGXLZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-9-7-13(17(15,16)8-9)12-5-3-11(4-6-12)10(2)14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone?
1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone has a molecular weight of 253.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone is sourced from PubChem (CID 79671269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).