5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one

C17H13NO2S — CID 135418950

IUPAC5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one
SMILESO=c1sc(-c2ccccc2)nc(O)c1Cc1ccccc1
InChIInChI=1S/C17H13NO2S/c19-15-14(11-12-7-3-1-4-8-12)17(20)21-16(18-15)13-9-5-2-6-10-13/h1-10,19H,11H2
InChIKeyIWYGYRCDJNWGJS-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.47
Rot. Bonds3

About 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one

5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one (PubChem CID 135418950) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one.

Molecular Properties

Compound Name5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one
PubChem CID135418950
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one
SMILESO=c1sc(-c2ccccc2)nc(O)c1Cc1ccccc1
InChIInChI=1S/C17H13NO2S/c19-15-14(11-12-7-3-1-4-8-12)17(20)21-16(18-15)13-9-5-2-6-10-13/h1-10,19H,11H2
InChIKeyIWYGYRCDJNWGJS-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one?
The IUPAC name of 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one (CID 135418950) is 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one.
What is the SMILES notation for 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one?
The canonical SMILES for 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one is O=c1sc(-c2ccccc2)nc(O)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one?
The InChIKey is IWYGYRCDJNWGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-15-14(11-12-7-3-1-4-8-12)17(20)21-16(18-15)13-9-5-2-6-10-13/h1-10,19H,11H2.
What are the key properties of 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one?
5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one has a molecular weight of 295.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one is sourced from PubChem (CID 135418950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).