2-benzylsulfanylpyridine-3-carbohydrazide

C13H13N3OS — CID 71720787

IUPAC2-benzylsulfanylpyridine-3-carbohydrazide
SMILESNNC(=O)c1cccnc1SCc1ccccc1
InChIInChI=1S/C13H13N3OS/c14-16-12(17)11-7-4-8-15-13(11)18-9-10-5-2-1-3-6-10/h1-8H,9,14H2,(H,16,17)
InChIKeyPCXHZMKTQZIFRJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.98
Rot. Bonds4

About 2-benzylsulfanylpyridine-3-carbohydrazide

2-benzylsulfanylpyridine-3-carbohydrazide (PubChem CID 71720787) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-benzylsulfanylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-benzylsulfanylpyridine-3-carbohydrazide
PubChem CID71720787
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-benzylsulfanylpyridine-3-carbohydrazide
SMILESNNC(=O)c1cccnc1SCc1ccccc1
InChIInChI=1S/C13H13N3OS/c14-16-12(17)11-7-4-8-15-13(11)18-9-10-5-2-1-3-6-10/h1-8H,9,14H2,(H,16,17)
InChIKeyPCXHZMKTQZIFRJ-UHFFFAOYSA-N
XLogP1.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
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-benzylsulfanylpyridine-3-carbohydrazide 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-benzylsulfanylpyridine-3-carbohydrazide?
The IUPAC name of 2-benzylsulfanylpyridine-3-carbohydrazide (CID 71720787) is 2-benzylsulfanylpyridine-3-carbohydrazide.
What is the SMILES notation for 2-benzylsulfanylpyridine-3-carbohydrazide?
The canonical SMILES for 2-benzylsulfanylpyridine-3-carbohydrazide is NNC(=O)c1cccnc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanylpyridine-3-carbohydrazide?
The InChIKey is PCXHZMKTQZIFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-16-12(17)11-7-4-8-15-13(11)18-9-10-5-2-1-3-6-10/h1-8H,9,14H2,(H,16,17).
What are the key properties of 2-benzylsulfanylpyridine-3-carbohydrazide?
2-benzylsulfanylpyridine-3-carbohydrazide has a molecular weight of 259.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylpyridine-3-carbohydrazide is sourced from PubChem (CID 71720787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).