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

C10H8N2O2S — CID 646071

IUPACN-(4-oxo-1,3-benzothiazin-2-yl)acetamide
SMILESCC(=O)Nc1nc(=O)c2ccccc2s1
InChIInChI=1S/C10H8N2O2S/c1-6(13)11-10-12-9(14)7-4-2-3-5-8(7)15-10/h2-5H,1H3,(H,11,12,13,14)
InChIKeyIWJVWMRNUZDTCR-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.61
Rot. Bonds1

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

N-(4-oxo-1,3-benzothiazin-2-yl)acetamide (PubChem CID 646071) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(4-oxo-1,3-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-1,3-benzothiazin-2-yl)acetamide
PubChem CID646071
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC NameN-(4-oxo-1,3-benzothiazin-2-yl)acetamide
SMILESCC(=O)Nc1nc(=O)c2ccccc2s1
InChIInChI=1S/C10H8N2O2S/c1-6(13)11-10-12-9(14)7-4-2-3-5-8(7)15-10/h2-5H,1H3,(H,11,12,13,14)
InChIKeyIWJVWMRNUZDTCR-UHFFFAOYSA-N
XLogP1.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1,3-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(4-oxo-1,3-benzothiazin-2-yl)acetamide (CID 646071) is N-(4-oxo-1,3-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(4-oxo-1,3-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(4-oxo-1,3-benzothiazin-2-yl)acetamide is CC(=O)Nc1nc(=O)c2ccccc2s1.
What is the InChIKey of N-(4-oxo-1,3-benzothiazin-2-yl)acetamide?
The InChIKey is IWJVWMRNUZDTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6(13)11-10-12-9(14)7-4-2-3-5-8(7)15-10/h2-5H,1H3,(H,11,12,13,14).
What are the key properties of N-(4-oxo-1,3-benzothiazin-2-yl)acetamide?
N-(4-oxo-1,3-benzothiazin-2-yl)acetamide has a molecular weight of 220.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1,3-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 646071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).