5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one

C10H9NO3S — CID 15734329

IUPAC5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one
SMILESCC1=C(c2ccccc2)C(=O)NS1(=O)=O
InChIInChI=1S/C10H9NO3S/c1-7-9(8-5-3-2-4-6-8)10(12)11-15(7,13)14/h2-6H,1H3,(H,11,12)
InChIKeySDJQJPYCOWLXCF-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.88
Rot. Bonds1

About 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one

5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one (PubChem CID 15734329) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one
PubChem CID15734329
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one
SMILESCC1=C(c2ccccc2)C(=O)NS1(=O)=O
InChIInChI=1S/C10H9NO3S/c1-7-9(8-5-3-2-4-6-8)10(12)11-15(7,13)14/h2-6H,1H3,(H,11,12)
InChIKeySDJQJPYCOWLXCF-UHFFFAOYSA-N
XLogP0.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one?
The IUPAC name of 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one (CID 15734329) is 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one is CC1=C(c2ccccc2)C(=O)NS1(=O)=O.
What is the InChIKey of 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one?
The InChIKey is SDJQJPYCOWLXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-7-9(8-5-3-2-4-6-8)10(12)11-15(7,13)14/h2-6H,1H3,(H,11,12).
What are the key properties of 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one?
5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one has a molecular weight of 223.25 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 15734329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).