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

C10H11N3OS — CID 3061335

IUPACN'-(2H-1,4-benzothiazin-3-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccccc2SC1
InChIInChI=1S/C10H11N3OS/c1-7(14)12-13-10-6-15-9-5-3-2-4-8(9)11-10/h2-5H,6H2,1H3,(H,11,13)(H,12,14)
InChIKeyDOOIQFCUDWWTKB-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.46
Rot. Bonds

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

N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide (PubChem CID 3061335) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2H-1,4-benzothiazin-3-yl)acetohydrazide
PubChem CID3061335
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN'-(2H-1,4-benzothiazin-3-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccccc2SC1
InChIInChI=1S/C10H11N3OS/c1-7(14)12-13-10-6-15-9-5-3-2-4-8(9)11-10/h2-5H,6H2,1H3,(H,11,13)(H,12,14)
InChIKeyDOOIQFCUDWWTKB-UHFFFAOYSA-N
XLogP1.46
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide?
The IUPAC name of N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide (CID 3061335) is N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide.
What is the SMILES notation for N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide?
The canonical SMILES for N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide is CC(=O)NNC1=Nc2ccccc2SC1.
What is the InChIKey of N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide?
The InChIKey is DOOIQFCUDWWTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7(14)12-13-10-6-15-9-5-3-2-4-8(9)11-10/h2-5H,6H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide?
N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide has a molecular weight of 221.28 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide is sourced from PubChem (CID 3061335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).