[1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine

C12H15N3OS — CID 105212005

IUPAC[1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine
SMILESCOc1cncc(C(Cc2cccs2)NN)c1
InChIInChI=1S/C12H15N3OS/c1-16-10-5-9(7-14-8-10)12(15-13)6-11-3-2-4-17-11/h2-5,7-8,12,15H,6,13H2,1H3
InChIKeyZBCDGININLYUSX-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.90
Rot. Bonds5

About [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine

[1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine (PubChem CID 105212005) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine
PubChem CID105212005
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine
SMILESCOc1cncc(C(Cc2cccs2)NN)c1
InChIInChI=1S/C12H15N3OS/c1-16-10-5-9(7-14-8-10)12(15-13)6-11-3-2-4-17-11/h2-5,7-8,12,15H,6,13H2,1H3
InChIKeyZBCDGININLYUSX-UHFFFAOYSA-N
XLogP1.90
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine?
The IUPAC name of [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine (CID 105212005) is [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine.
What is the SMILES notation for [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine?
The canonical SMILES for [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine is COc1cncc(C(Cc2cccs2)NN)c1.
What is the InChIKey of [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine?
The InChIKey is ZBCDGININLYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-16-10-5-9(7-14-8-10)12(15-13)6-11-3-2-4-17-11/h2-5,7-8,12,15H,6,13H2,1H3.
What are the key properties of [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine?
[1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine has a molecular weight of 249.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine is sourced from PubChem (CID 105212005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).