(2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one

C11H13NO3S — CID 12842064

IUPAC(2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one
SMILESC[C@H]1C(=O)N(C)[C@@H](c2ccccc2)S1(=O)=O
InChIInChI=1S/C11H13NO3S/c1-8-10(13)12(2)11(16(8,14)15)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-,11+/m0/s1
InChIKeyIYBTVPSINAIPJM-GZMMTYOYSA-N
MW239.30 g/mol
LogP0.96
Rot. Bonds1

About (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one

(2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 12842064) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one
PubChem CID12842064
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one
SMILESC[C@H]1C(=O)N(C)[C@@H](c2ccccc2)S1(=O)=O
InChIInChI=1S/C11H13NO3S/c1-8-10(13)12(2)11(16(8,14)15)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-,11+/m0/s1
InChIKeyIYBTVPSINAIPJM-GZMMTYOYSA-N
XLogP0.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one (CID 12842064) is (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one is C[C@H]1C(=O)N(C)[C@@H](c2ccccc2)S1(=O)=O.
What is the InChIKey of (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is IYBTVPSINAIPJM-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8-10(13)12(2)11(16(8,14)15)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-,11+/m0/s1.
What are the key properties of (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one?
(2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 239.30 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3,5-dimethyl-1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 12842064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).