5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid

C11H9NO3S — CID 82028780

IUPAC5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid
SMILESO=C1CSC(C(=O)O)=C(c2ccccc2)N1
InChIInChI=1S/C11H9NO3S/c13-8-6-16-10(11(14)15)9(12-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)(H,14,15)
InChIKeyUBFWROYCWBZKRK-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.30
Rot. Bonds2

About 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid

5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid (PubChem CID 82028780) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid
PubChem CID82028780
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid
SMILESO=C1CSC(C(=O)O)=C(c2ccccc2)N1
InChIInChI=1S/C11H9NO3S/c13-8-6-16-10(11(14)15)9(12-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)(H,14,15)
InChIKeyUBFWROYCWBZKRK-UHFFFAOYSA-N
XLogP1.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 648643
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4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylic acid
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(E)-3-acetamido-2-fluoro-3-phenylprop-2-enoic acid
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CID 4560259
4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylic acid
CID 102087387
6-Hydroxy-2-phenyl-3-hydroxypyridine
CID 129803843
2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 82390158
2-(2-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 82390159
(E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid
CID 82519665

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid?
The IUPAC name of 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid (CID 82028780) is 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid is O=C1CSC(C(=O)O)=C(c2ccccc2)N1.
What is the InChIKey of 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid?
The InChIKey is UBFWROYCWBZKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-8-6-16-10(11(14)15)9(12-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)(H,14,15).
What are the key properties of 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid?
5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-4H-1,4-thiazine-2-carboxylic acid is sourced from PubChem (CID 82028780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).