2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide

C14H12N4O2S — CID 11837212

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1cnccn1
InChIInChI=1S/C14H12N4O2S/c19-13(18-12-8-15-5-6-16-12)7-11-14(20)17-9-3-1-2-4-10(9)21-11/h1-6,8,11H,7H2,(H,17,20)(H,16,18,19)
InChIKeySKCXYQUHEMOEFN-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.92
Rot. Bonds3

About 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide (PubChem CID 11837212) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide
PubChem CID11837212
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1cnccn1
InChIInChI=1S/C14H12N4O2S/c19-13(18-12-8-15-5-6-16-12)7-11-14(20)17-9-3-1-2-4-10(9)21-11/h1-6,8,11H,7H2,(H,17,20)(H,16,18,19)
InChIKeySKCXYQUHEMOEFN-UHFFFAOYSA-N
XLogP1.92
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
CID 11837209
3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide
CID 47034434
N-(1-methylpyrazol-3-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 51537804
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 47078473
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2852355
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26011624
N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide (CID 11837212) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1cnccn1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide?
The InChIKey is SKCXYQUHEMOEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-13(18-12-8-15-5-6-16-12)7-11-14(20)17-9-3-1-2-4-10(9)21-11/h1-6,8,11H,7H2,(H,17,20)(H,16,18,19).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide has a molecular weight of 300.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 11837212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).