2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide

C12H13N3O4S — CID 11460631

IUPAC2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide
SMILESNC(=O)CN1C(=O)C(CC(=O)NO)Sc2ccccc21
InChIInChI=1S/C12H13N3O4S/c13-10(16)6-15-7-3-1-2-4-8(7)20-9(12(15)18)5-11(17)14-19/h1-4,9,19H,5-6H2,(H2,13,16)(H,14,17)
InChIKeyAWDOSWMBHGGYOW-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.13
Rot. Bonds4

About 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide

2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide (PubChem CID 11460631) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide
PubChem CID11460631
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide
SMILESNC(=O)CN1C(=O)C(CC(=O)NO)Sc2ccccc21
InChIInChI=1S/C12H13N3O4S/c13-10(16)6-15-7-3-1-2-4-8(7)20-9(12(15)18)5-11(17)14-19/h1-4,9,19H,5-6H2,(H2,13,16)(H,14,17)
InChIKeyAWDOSWMBHGGYOW-UHFFFAOYSA-N
XLogP-0.13
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide (CID 11460631) is 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide is NC(=O)CN1C(=O)C(CC(=O)NO)Sc2ccccc21.
What is the InChIKey of 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide?
The InChIKey is AWDOSWMBHGGYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c13-10(16)6-15-7-3-1-2-4-8(7)20-9(12(15)18)5-11(17)14-19/h1-4,9,19H,5-6H2,(H2,13,16)(H,14,17).
What are the key properties of 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide?
2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide has a molecular weight of 295.32 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide is sourced from PubChem (CID 11460631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).