[1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine

C13H12N2OS — CID 105262414

IUPAC[1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cccs1)c1coc2ccccc12
InChIInChI=1S/C13H12N2OS/c14-15-13(12-6-3-7-17-12)10-8-16-11-5-2-1-4-9(10)11/h1-8,13,15H,14H2
InChIKeyJHOHSWKMZNZMEC-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.05
Rot. Bonds3

About [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine

[1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine (PubChem CID 105262414) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine
PubChem CID105262414
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name[1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cccs1)c1coc2ccccc12
InChIInChI=1S/C13H12N2OS/c14-15-13(12-6-3-7-17-12)10-8-16-11-5-2-1-4-9(10)11/h1-8,13,15H,14H2
InChIKeyJHOHSWKMZNZMEC-UHFFFAOYSA-N
XLogP3.05
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine?
The IUPAC name of [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine (CID 105262414) is [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine is NNC(c1cccs1)c1coc2ccccc12.
What is the InChIKey of [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine?
The InChIKey is JHOHSWKMZNZMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-15-13(12-6-3-7-17-12)10-8-16-11-5-2-1-4-9(10)11/h1-8,13,15H,14H2.
What are the key properties of [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine?
[1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine has a molecular weight of 244.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105262414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).