2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C10H8F2N2O2S — CID 113219045

IUPAC2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESO=C1CSc2ccc(NC(=O)C(F)F)cc2N1
InChIInChI=1S/C10H8F2N2O2S/c11-9(12)10(16)13-5-1-2-7-6(3-5)14-8(15)4-17-7/h1-3,9H,4H2,(H,13,16)(H,14,15)
InChIKeyBUDGIXNFRMBWEO-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.93
Rot. Bonds2

About 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 113219045) has the molecular formula C10H8F2N2O2S and a molecular weight of 258.25 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID113219045
Molecular FormulaC10H8F2N2O2S
Molecular Weight258.25 g/mol
Exact Mass258.03
IUPAC Name2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESO=C1CSc2ccc(NC(=O)C(F)F)cc2N1
InChIInChI=1S/C10H8F2N2O2S/c11-9(12)10(16)13-5-1-2-7-6(3-5)14-8(15)4-17-7/h1-3,9H,4H2,(H,13,16)(H,14,15)
InChIKeyBUDGIXNFRMBWEO-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 43699749
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 106111669
2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015355
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 55122169
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]butan-2-yl]benzamide
CID 31721153
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63006250

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 113219045) is 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is O=C1CSc2ccc(NC(=O)C(F)F)cc2N1.
What is the InChIKey of 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is BUDGIXNFRMBWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2S/c11-9(12)10(16)13-5-1-2-7-6(3-5)14-8(15)4-17-7/h1-3,9H,4H2,(H,13,16)(H,14,15).
What are the key properties of 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 258.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 113219045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).