2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide

C10H11N3O2S — CID 3450026

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide
SMILESNNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C10H11N3O2S/c11-13-9(14)5-8-10(15)12-6-3-1-2-4-7(6)16-8/h1-4,8H,5,11H2,(H,12,15)(H,13,14)
InChIKeyQWRORGHKZBEAOV-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.48
Rot. Bonds2

About 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide

2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide (PubChem CID 3450026) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide
PubChem CID3450026
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide
SMILESNNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C10H11N3O2S/c11-13-9(14)5-8-10(15)12-6-3-1-2-4-7(6)16-8/h1-4,8H,5,11H2,(H,12,15)(H,13,14)
InChIKeyQWRORGHKZBEAOV-UHFFFAOYSA-N
XLogP0.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide (CID 3450026) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide is NNC(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide?
The InChIKey is QWRORGHKZBEAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-13-9(14)5-8-10(15)12-6-3-1-2-4-7(6)16-8/h1-4,8H,5,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide has a molecular weight of 237.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 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)acetohydrazide is sourced from PubChem (CID 3450026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).