N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide

C9H11N3O2S — CID 37063876

IUPACN'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
SMILESCC(=O)NNC(=O)CSc1ccccn1
InChIInChI=1S/C9H11N3O2S/c1-7(13)11-12-8(14)6-15-9-4-2-3-5-10-9/h2-5H,6H2,1H3,(H,11,13)(H,12,14)
InChIKeyBCPQCPBAXHUVIY-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.34
Rot. Bonds3

About N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide

N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide (PubChem CID 37063876) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
PubChem CID37063876
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
SMILESCC(=O)NNC(=O)CSc1ccccn1
InChIInChI=1S/C9H11N3O2S/c1-7(13)11-12-8(14)6-15-9-4-2-3-5-10-9/h2-5H,6H2,1H3,(H,11,13)(H,12,14)
InChIKeyBCPQCPBAXHUVIY-UHFFFAOYSA-N
XLogP0.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.34
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'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide?
The IUPAC name of N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide (CID 37063876) is N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide?
The canonical SMILES for N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide is CC(=O)NNC(=O)CSc1ccccn1.
What is the InChIKey of N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide?
The InChIKey is BCPQCPBAXHUVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-7(13)11-12-8(14)6-15-9-4-2-3-5-10-9/h2-5H,6H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide?
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide has a molecular weight of 225.27 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide is sourced from PubChem (CID 37063876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).