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

C16H15N3O2S — CID 110771494

IUPAC2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc2c(c1)NC(=O)CS2)NCc1ccccn1
InChIInChI=1S/C16H15N3O2S/c20-15(18-9-12-3-1-2-6-17-12)8-11-4-5-14-13(7-11)19-16(21)10-22-14/h1-7H,8-10H2,(H,18,20)(H,19,21)
InChIKeyBPDWHCWJOPTHOZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.98
Rot. Bonds4

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

2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 110771494) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID110771494
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc2c(c1)NC(=O)CS2)NCc1ccccn1
InChIInChI=1S/C16H15N3O2S/c20-15(18-9-12-3-1-2-6-17-12)8-11-4-5-14-13(7-11)19-16(21)10-22-14/h1-7H,8-10H2,(H,18,20)(H,19,21)
InChIKeyBPDWHCWJOPTHOZ-UHFFFAOYSA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771492
1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide
CID 110784738
3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
CID 110784744
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide
CID 115259923
2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 115152395
N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771553
3-oxo-N-(1H-pyrazol-5-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 47285751
3-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]benzamide
CID 110790803

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 110771494) is 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1ccc2c(c1)NC(=O)CS2)NCc1ccccn1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BPDWHCWJOPTHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-15(18-9-12-3-1-2-6-17-12)8-11-4-5-14-13(7-11)19-16(21)10-22-14/h1-7H,8-10H2,(H,18,20)(H,19,21).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 1.98, 4 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-6-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 110771494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).