5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid

C10H10FNO2S — CID 84625264

IUPAC5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid
SMILESCC1Nc2c(F)cccc2SC1C(=O)O
InChIInChI=1S/C10H10FNO2S/c1-5-9(10(13)14)15-7-4-2-3-6(11)8(7)12-5/h2-5,9,12H,1H3,(H,13,14)
InChIKeyVAJMFDVLCROCLA-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.18
Rot. Bonds1

About 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid

5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid (PubChem CID 84625264) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid
PubChem CID84625264
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid
SMILESCC1Nc2c(F)cccc2SC1C(=O)O
InChIInChI=1S/C10H10FNO2S/c1-5-9(10(13)14)15-7-4-2-3-6(11)8(7)12-5/h2-5,9,12H,1H3,(H,13,14)
InChIKeyVAJMFDVLCROCLA-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid?
The IUPAC name of 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid (CID 84625264) is 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid?
The canonical SMILES for 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid is CC1Nc2c(F)cccc2SC1C(=O)O.
What is the InChIKey of 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid?
The InChIKey is VAJMFDVLCROCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c1-5-9(10(13)14)15-7-4-2-3-6(11)8(7)12-5/h2-5,9,12H,1H3,(H,13,14).
What are the key properties of 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid?
5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid is sourced from PubChem (CID 84625264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).