(6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate

C17H11NO3S — CID 3056284

IUPAC(6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate
SMILESO=C(Oc1cc(=O)sc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H11NO3S/c19-15-11-14(21-17(20)13-9-5-2-6-10-13)18-16(22-15)12-7-3-1-4-8-12/h1-11H
InChIKeyVTRXFTSAUSZXLT-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.39
Rot. Bonds3

About (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate

(6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate (PubChem CID 3056284) has the molecular formula C17H11NO3S and a molecular weight of 309.35 g/mol. Its IUPAC name is (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate.

Molecular Properties

Compound Name(6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate
PubChem CID3056284
Molecular FormulaC17H11NO3S
Molecular Weight309.35 g/mol
Exact Mass309.05
IUPAC Name(6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate
SMILESO=C(Oc1cc(=O)sc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H11NO3S/c19-15-11-14(21-17(20)13-9-5-2-6-10-13)18-16(22-15)12-7-3-1-4-8-12/h1-11H
InChIKeyVTRXFTSAUSZXLT-UHFFFAOYSA-N
XLogP3.39
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate?
The IUPAC name of (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate (CID 3056284) is (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate.
What is the SMILES notation for (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate?
The canonical SMILES for (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate is O=C(Oc1cc(=O)sc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate?
The InChIKey is VTRXFTSAUSZXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3S/c19-15-11-14(21-17(20)13-9-5-2-6-10-13)18-16(22-15)12-7-3-1-4-8-12/h1-11H.
What are the key properties of (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate?
(6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate has a molecular weight of 309.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate is sourced from PubChem (CID 3056284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).