1,4-thiazine-4-carboxylic acid

C5H5NO2S — CID 68572515

IUPAC1,4-thiazine-4-carboxylic acid
SMILESO=C(O)N1C=CSC=C1
InChIInChI=1S/C5H5NO2S/c7-5(8)6-1-3-9-4-2-6/h1-4H,(H,7,8)
InChIKeyVTFZEPPEFJNIMF-UHFFFAOYSA-N
MW143.17 g/mol
LogP1.66
Rot. Bonds

About 1,4-thiazine-4-carboxylic acid

1,4-thiazine-4-carboxylic acid (PubChem CID 68572515) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 1,4-thiazine-4-carboxylic acid.

Molecular Properties

Compound Name1,4-thiazine-4-carboxylic acid
PubChem CID68572515
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name1,4-thiazine-4-carboxylic acid
SMILESO=C(O)N1C=CSC=C1
InChIInChI=1S/C5H5NO2S/c7-5(8)6-1-3-9-4-2-6/h1-4H,(H,7,8)
InChIKeyVTFZEPPEFJNIMF-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-thiazine-4-carboxylic acid?
The IUPAC name of 1,4-thiazine-4-carboxylic acid (CID 68572515) is 1,4-thiazine-4-carboxylic acid.
What is the SMILES notation for 1,4-thiazine-4-carboxylic acid?
The canonical SMILES for 1,4-thiazine-4-carboxylic acid is O=C(O)N1C=CSC=C1.
What is the InChIKey of 1,4-thiazine-4-carboxylic acid?
The InChIKey is VTFZEPPEFJNIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-5(8)6-1-3-9-4-2-6/h1-4H,(H,7,8).
What are the key properties of 1,4-thiazine-4-carboxylic acid?
1,4-thiazine-4-carboxylic acid has a molecular weight of 143.17 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-thiazine-4-carboxylic acid is sourced from PubChem (CID 68572515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).