N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide

C10H10ClN3OS — CID 3061277

IUPACN'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccc(Cl)cc2SC1
InChIInChI=1S/C10H10ClN3OS/c1-6(15)13-14-10-5-16-9-4-7(11)2-3-8(9)12-10/h2-4H,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyZPHKFBJKKQMOHC-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.12
Rot. Bonds

About N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide

N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide (PubChem CID 3061277) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide
PubChem CID3061277
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC NameN'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccc(Cl)cc2SC1
InChIInChI=1S/C10H10ClN3OS/c1-6(15)13-14-10-5-16-9-4-7(11)2-3-8(9)12-10/h2-4H,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyZPHKFBJKKQMOHC-UHFFFAOYSA-N
XLogP2.12
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(7-chloro-2H-1,4-benzothiazin-3-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 N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide?
The IUPAC name of N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide (CID 3061277) is N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide.
What is the SMILES notation for N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide?
The canonical SMILES for N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide is CC(=O)NNC1=Nc2ccc(Cl)cc2SC1.
What is the InChIKey of N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide?
The InChIKey is ZPHKFBJKKQMOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-6(15)13-14-10-5-16-9-4-7(11)2-3-8(9)12-10/h2-4H,5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide?
N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide has a molecular weight of 255.73 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide is sourced from PubChem (CID 3061277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).