5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide

C11H11N3O2S — CID 55213307

IUPAC5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2ccccn2)c1
InChIInChI=1S/C11H11N3O2S/c12-14-11(15)8-5-9(16-6-8)7-17-10-3-1-2-4-13-10/h1-6H,7,12H2,(H,14,15)
InChIKeySIBWMEQMOMKKEH-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.57
Rot. Bonds4

About 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide

5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 55213307) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID55213307
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2ccccn2)c1
InChIInChI=1S/C11H11N3O2S/c12-14-11(15)8-5-9(16-6-8)7-17-10-3-1-2-4-13-10/h1-6H,7,12H2,(H,14,15)
InChIKeySIBWMEQMOMKKEH-UHFFFAOYSA-N
XLogP1.57
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide (CID 55213307) is 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide is NNC(=O)c1coc(CSc2ccccn2)c1.
What is the InChIKey of 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is SIBWMEQMOMKKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-14-11(15)8-5-9(16-6-8)7-17-10-3-1-2-4-13-10/h1-6H,7,12H2,(H,14,15).
What are the key properties of 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 249.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 55213307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).