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

C15H13N3O2S — CID 11837209

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1cccnc1
InChIInChI=1S/C15H13N3O2S/c19-14(17-10-4-3-7-16-9-10)8-13-15(20)18-11-5-1-2-6-12(11)21-13/h1-7,9,13H,8H2,(H,17,19)(H,18,20)
InChIKeyJHAJMKSKKGAEOD-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.52
Rot. Bonds3

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

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide (PubChem CID 11837209) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
PubChem CID11837209
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1cccnc1
InChIInChI=1S/C15H13N3O2S/c19-14(17-10-4-3-7-16-9-10)8-13-15(20)18-11-5-1-2-6-12(11)21-13/h1-7,9,13H,8H2,(H,17,19)(H,18,20)
InChIKeyJHAJMKSKKGAEOD-UHFFFAOYSA-N
XLogP2.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide
CID 11837212
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1069348
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 51134753
2,2-dimethyl-N-[3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]propanamide
CID 55532332
1-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-3-phenylurea
CID 2820270
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-(2,3-dihydro-1H-inden-5-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9495359
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
CID 55867373

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide (CID 11837209) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1cccnc1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide?
The InChIKey is JHAJMKSKKGAEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(17-10-4-3-7-16-9-10)8-13-15(20)18-11-5-1-2-6-12(11)21-13/h1-7,9,13H,8H2,(H,17,19)(H,18,20).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide has a molecular weight of 299.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 11837209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).