2,4-diphenyl-1,3,5-oxathiazin-6-one

C15H11NO2S — CID 134113894

IUPAC2,4-diphenyl-1,3,5-oxathiazin-6-one
SMILESO=C1N=C(c2ccccc2)SC(c2ccccc2)O1
InChIInChI=1S/C15H11NO2S/c17-15-16-13(11-7-3-1-4-8-11)19-14(18-15)12-9-5-2-6-10-12/h1-10,14H
InChIKeyGHKKZXLGEZKUQQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.02
Rot. Bonds2

About 2,4-diphenyl-1,3,5-oxathiazin-6-one

2,4-diphenyl-1,3,5-oxathiazin-6-one (PubChem CID 134113894) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2,4-diphenyl-1,3,5-oxathiazin-6-one.

Molecular Properties

Compound Name2,4-diphenyl-1,3,5-oxathiazin-6-one
PubChem CID134113894
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name2,4-diphenyl-1,3,5-oxathiazin-6-one
SMILESO=C1N=C(c2ccccc2)SC(c2ccccc2)O1
InChIInChI=1S/C15H11NO2S/c17-15-16-13(11-7-3-1-4-8-11)19-14(18-15)12-9-5-2-6-10-12/h1-10,14H
InChIKeyGHKKZXLGEZKUQQ-UHFFFAOYSA-N
XLogP4.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
CID 40650711
(2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one
CID 10750460
(2R)-2,6-diphenyl-1,3-dioxin-4-one
CID 806114
4-methyl-2-phenyl-1,3-oxathiolan-5-one
CID 12581976
7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one
CID 139223915
(2S)-2,3-diphenyl-4-propyl-2H-furan-5-one
CID 101165719
ethyl 4-oxo-2-phenyl-1,3-thiazole-5-carboxylate
CID 71610298
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one
CID 12773434
4-methyl-3,6,8-triphenyl-3,4-dihydropyrido[2,1-c][1,4]oxazin-5-ium-1-one
CID 3752158

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1,3,5-oxathiazin-6-one?
The IUPAC name of 2,4-diphenyl-1,3,5-oxathiazin-6-one (CID 134113894) is 2,4-diphenyl-1,3,5-oxathiazin-6-one.
What is the SMILES notation for 2,4-diphenyl-1,3,5-oxathiazin-6-one?
The canonical SMILES for 2,4-diphenyl-1,3,5-oxathiazin-6-one is O=C1N=C(c2ccccc2)SC(c2ccccc2)O1.
What is the InChIKey of 2,4-diphenyl-1,3,5-oxathiazin-6-one?
The InChIKey is GHKKZXLGEZKUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-15-16-13(11-7-3-1-4-8-11)19-14(18-15)12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of 2,4-diphenyl-1,3,5-oxathiazin-6-one?
2,4-diphenyl-1,3,5-oxathiazin-6-one has a molecular weight of 269.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1,3,5-oxathiazin-6-one is sourced from PubChem (CID 134113894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).