2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

C16H13NO4S — CID 1201965

IUPAC2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESO=C1C(O)=C(c2ccccc2)S(=O)(=O)N1Cc1ccccc1
InChIInChI=1S/C16H13NO4S/c18-14-15(13-9-5-2-6-10-13)22(20,21)17(16(14)19)11-12-7-3-1-4-8-12/h1-10,18H,11H2
InChIKeyDFFAZIDFSMAFLE-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.29
Rot. Bonds3

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

2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 1201965) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID1201965
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESO=C1C(O)=C(c2ccccc2)S(=O)(=O)N1Cc1ccccc1
InChIInChI=1S/C16H13NO4S/c18-14-15(13-9-5-2-6-10-13)22(20,21)17(16(14)19)11-12-7-3-1-4-8-12/h1-10,18H,11H2
InChIKeyDFFAZIDFSMAFLE-UHFFFAOYSA-N
XLogP2.29
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one
CID 679868
4-Hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 13186358
4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one
CID 23991912
2-Benzyl-5-phenyl-1,2-thiazol-3-one
CID 101794335
[(2S)-1,2-dibenzyl-5-oxo-2H-pyrrol-4-yl] trifluoromethanesulfonate
CID 17759568
1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 20574359
4-Hydroxy-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67242125
2-Ethyl-4-hydroxy-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67242273
2-Butyl-4-hydroxy-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67243252
4-Hydroxy-2-(2-methoxyethyl)-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67243377
2-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;N-butyl-1-phenylmethanesulfonamide
CID 69345365
Potassium;4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one;2-methylpropan-2-olate
CID 69503632

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 1201965) is 2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is O=C1C(O)=C(c2ccccc2)S(=O)(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is DFFAZIDFSMAFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c18-14-15(13-9-5-2-6-10-13)22(20,21)17(16(14)19)11-12-7-3-1-4-8-12/h1-10,18H,11H2.
What are the key properties of 2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 315.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 1201965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).