2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C12H11N5O2S — CID 30865580

IUPAC2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ncn[nH]1
InChIInChI=1S/C12H11N5O2S/c18-10(15-12-13-7-14-16-12)5-17-8-3-1-2-4-9(8)20-6-11(17)19/h1-4,7H,5-6H2,(H2,13,14,15,16,18)
InChIKeyWIOMZSXBHIQVLO-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.88
Rot. Bonds3

About 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 30865580) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID30865580
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ncn[nH]1
InChIInChI=1S/C12H11N5O2S/c18-10(15-12-13-7-14-16-12)5-17-8-3-1-2-4-9(8)20-6-11(17)19/h1-4,7H,5-6H2,(H2,13,14,15,16,18)
InChIKeyWIOMZSXBHIQVLO-UHFFFAOYSA-N
XLogP0.88
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 30865580) is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nc1ncn[nH]1.
What is the InChIKey of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is WIOMZSXBHIQVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c18-10(15-12-13-7-14-16-12)5-17-8-3-1-2-4-9(8)20-6-11(17)19/h1-4,7H,5-6H2,(H2,13,14,15,16,18).
What are the key properties of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 30865580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).