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

C16H15N3O2S — CID 4120056

IUPAC2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCc1ccccn1
InChIInChI=1S/C16H15N3O2S/c20-15(18-9-12-5-3-4-8-17-12)10-19-13-6-1-2-7-14(13)22-11-16(19)21/h1-8H,9-11H2,(H,18,20)
InChIKeyOBURLAHGMDLCQG-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.84
Rot. Bonds4

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

2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 4120056) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID4120056
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCc1ccccn1
InChIInChI=1S/C16H15N3O2S/c20-15(18-9-12-5-3-4-8-17-12)10-19-13-6-1-2-7-14(13)22-11-16(19)21/h1-8H,9-11H2,(H,18,20)
InChIKeyOBURLAHGMDLCQG-UHFFFAOYSA-N
XLogP1.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 4120056) is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1C(=O)CSc2ccccc21)NCc1ccccn1.
What is the InChIKey of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is OBURLAHGMDLCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-15(18-9-12-5-3-4-8-17-12)10-19-13-6-1-2-7-14(13)22-11-16(19)21/h1-8H,9-11H2,(H,18,20).
What are the key properties of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 4120056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).