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

C10H9NO3S — CID 13373974

IUPAC4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCC1=C(c2ccccc2)S(=O)(=O)NC1=O
InChIInChI=1S/C10H9NO3S/c1-7-9(8-5-3-2-4-6-8)15(13,14)11-10(7)12/h2-6H,1H3,(H,11,12)
InChIKeyIGZHNONSKPPAGD-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.88
Rot. Bonds1

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

4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 13373974) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID13373974
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCC1=C(c2ccccc2)S(=O)(=O)NC1=O
InChIInChI=1S/C10H9NO3S/c1-7-9(8-5-3-2-4-6-8)15(13,14)11-10(7)12/h2-6H,1H3,(H,11,12)
InChIKeyIGZHNONSKPPAGD-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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Related Compounds

Xrtskrbkmfjbjv-uhfffaoysa-
CID 13373975
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1-Oxo-5-phenyl-1,2-thiazol-3-one
CID 146833326
N-((4-Methylphenyl)sulfonyl)acetamide
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CID 3113783
(Z)-2-methyl-3-phenylbut-2-enamide
CID 12232106
2-methyl-N-(2-phenylethylsulfonyl)propanamide
CID 53593264
(E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide
CID 47108688
2-ethyl-N-(2-phenylethylsulfonyl)butanamide
CID 53605931
2-methylsulfanyl-N-(2-phenylethylsulfonyl)propanamide
CID 72023568

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 13373974) is 4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is CC1=C(c2ccccc2)S(=O)(=O)NC1=O.
What is the InChIKey of 4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is IGZHNONSKPPAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-7-9(8-5-3-2-4-6-8)15(13,14)11-10(7)12/h2-6H,1H3,(H,11,12).
What are the key properties of 4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
4-methyl-1,1-dioxo-5-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 4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 13373974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).