4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one

C11H11NO3S — CID 20886633

IUPAC4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)NC1=O
InChIInChI=1S/C11H11NO3S/c1-7-3-5-9(6-4-7)10-8(2)11(13)12-16(10,14)15/h3-6H,1-2H3,(H,12,13)
InChIKeyREIVKOAPDGBOSS-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.19
Rot. Bonds1

About 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one

4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one (PubChem CID 20886633) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one
PubChem CID20886633
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)NC1=O
InChIInChI=1S/C11H11NO3S/c1-7-3-5-9(6-4-7)10-8(2)11(13)12-16(10,14)15/h3-6H,1-2H3,(H,12,13)
InChIKeyREIVKOAPDGBOSS-UHFFFAOYSA-N
XLogP1.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one?
The IUPAC name of 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one (CID 20886633) is 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one.
What is the SMILES notation for 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one?
The canonical SMILES for 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one is CC1=C(c2ccc(C)cc2)S(=O)(=O)NC1=O.
What is the InChIKey of 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one?
The InChIKey is REIVKOAPDGBOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-7-3-5-9(6-4-7)10-8(2)11(13)12-16(10,14)15/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one?
4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one has a molecular weight of 237.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one is sourced from PubChem (CID 20886633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).