2-sulfanylidene-1H-pyridine-4-carbohydrazide

C6H7N3OS — CID 119093808

IUPAC2-sulfanylidene-1H-pyridine-4-carbohydrazide
SMILESNNC(=O)c1cc[nH]c(=S)c1
InChIInChI=1S/C6H7N3OS/c7-9-6(10)4-1-2-8-5(11)3-4/h1-3H,7H2,(H,8,11)(H,9,10)
InChIKeyNETGLXJEZQHNSD-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.35
Rot. Bonds1

About 2-sulfanylidene-1H-pyridine-4-carbohydrazide

2-sulfanylidene-1H-pyridine-4-carbohydrazide (PubChem CID 119093808) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-sulfanylidene-1H-pyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-sulfanylidene-1H-pyridine-4-carbohydrazide
PubChem CID119093808
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name2-sulfanylidene-1H-pyridine-4-carbohydrazide
SMILESNNC(=O)c1cc[nH]c(=S)c1
InChIInChI=1S/C6H7N3OS/c7-9-6(10)4-1-2-8-5(11)3-4/h1-3H,7H2,(H,8,11)(H,9,10)
InChIKeyNETGLXJEZQHNSD-UHFFFAOYSA-N
XLogP0.35
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-sulfanylidene-1H-pyridine-4-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

2-Oxo-1,2-dihydropyridine-4-carbohydrazide
CID 53424755
2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
2-Thioxo-1,2-dihydropyridine-4-carboxamide
CID 70654724
1,2-Dihydropyridine-4-carbohydrazide
CID 172331989
[(2-oxo-1H-pyridine-4-carbonyl)amino]thiourea
CID 108107145
N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 122236766
2-sulfanylidene-1H-pyridine-3-carbohydrazide;hydrochloride
CID 131110619

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-1H-pyridine-4-carbohydrazide?
The IUPAC name of 2-sulfanylidene-1H-pyridine-4-carbohydrazide (CID 119093808) is 2-sulfanylidene-1H-pyridine-4-carbohydrazide.
What is the SMILES notation for 2-sulfanylidene-1H-pyridine-4-carbohydrazide?
The canonical SMILES for 2-sulfanylidene-1H-pyridine-4-carbohydrazide is NNC(=O)c1cc[nH]c(=S)c1.
What is the InChIKey of 2-sulfanylidene-1H-pyridine-4-carbohydrazide?
The InChIKey is NETGLXJEZQHNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c7-9-6(10)4-1-2-8-5(11)3-4/h1-3H,7H2,(H,8,11)(H,9,10).
What are the key properties of 2-sulfanylidene-1H-pyridine-4-carbohydrazide?
2-sulfanylidene-1H-pyridine-4-carbohydrazide has a molecular weight of 169.21 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1H-pyridine-4-carbohydrazide is sourced from PubChem (CID 119093808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).