1,3-benzothiazole;2-hydrazinylaniline

C13H14N4S — CID 143333953

IUPAC1,3-benzothiazole;2-hydrazinylaniline
SMILESNNc1ccccc1N.c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.C6H9N3/c1-2-4-7-6(3-1)8-5-9-7;7-5-3-1-2-4-6(5)9-8/h1-5H;1-4,9H,7-8H2
InChIKeyCTEGATWJOINMHG-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.85
Rot. Bonds1

About 1,3-benzothiazole;2-hydrazinylaniline

1,3-benzothiazole;2-hydrazinylaniline (PubChem CID 143333953) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1,3-benzothiazole;2-hydrazinylaniline.

Molecular Properties

Compound Name1,3-benzothiazole;2-hydrazinylaniline
PubChem CID143333953
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name1,3-benzothiazole;2-hydrazinylaniline
SMILESNNc1ccccc1N.c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.C6H9N3/c1-2-4-7-6(3-1)8-5-9-7;7-5-3-1-2-4-6(5)9-8/h1-5H;1-4,9H,7-8H2
InChIKeyCTEGATWJOINMHG-UHFFFAOYSA-N
XLogP2.85
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-benzothiazole;2-hydrazinylaniline 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 1,3-benzothiazole;2-hydrazinylaniline?
The IUPAC name of 1,3-benzothiazole;2-hydrazinylaniline (CID 143333953) is 1,3-benzothiazole;2-hydrazinylaniline.
What is the SMILES notation for 1,3-benzothiazole;2-hydrazinylaniline?
The canonical SMILES for 1,3-benzothiazole;2-hydrazinylaniline is NNc1ccccc1N.c1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazole;2-hydrazinylaniline?
The InChIKey is CTEGATWJOINMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C6H9N3/c1-2-4-7-6(3-1)8-5-9-7;7-5-3-1-2-4-6(5)9-8/h1-5H;1-4,9H,7-8H2.
What are the key properties of 1,3-benzothiazole;2-hydrazinylaniline?
1,3-benzothiazole;2-hydrazinylaniline has a molecular weight of 258.35 g/mol, XLogP of 2.85, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;2-hydrazinylaniline is sourced from PubChem (CID 143333953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).