[2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine

C12H15N3OS — CID 79259758

IUPAC[2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine
SMILESNNc1ccnc(COCCc2cccs2)c1
InChIInChI=1S/C12H15N3OS/c13-15-10-3-5-14-11(8-10)9-16-6-4-12-2-1-7-17-12/h1-3,5,7-8H,4,6,9,13H2,(H,14,15)
InChIKeyZHBHEMUTCCUVBU-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.19
Rot. Bonds6

About [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine

[2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine (PubChem CID 79259758) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine
PubChem CID79259758
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine
SMILESNNc1ccnc(COCCc2cccs2)c1
InChIInChI=1S/C12H15N3OS/c13-15-10-3-5-14-11(8-10)9-16-6-4-12-2-1-7-17-12/h1-3,5,7-8H,4,6,9,13H2,(H,14,15)
InChIKeyZHBHEMUTCCUVBU-UHFFFAOYSA-N
XLogP2.19
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine
CID 80655293
2-(thiophen-2-ylmethoxymethyl)pyridin-4-amine
CID 79260055
[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613805
4-hydrazinyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62249935
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 79259173
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
CID 106908279
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908281
N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine
CID 62321572
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79244648
[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 62321392
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
[2-[(4-iodophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260216

Frequently Asked Questions

What is the IUPAC name of [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine?
The IUPAC name of [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine (CID 79259758) is [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine?
The canonical SMILES for [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine is NNc1ccnc(COCCc2cccs2)c1.
What is the InChIKey of [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine?
The InChIKey is ZHBHEMUTCCUVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-15-10-3-5-14-11(8-10)9-16-6-4-12-2-1-7-17-12/h1-3,5,7-8H,4,6,9,13H2,(H,14,15).
What are the key properties of [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine?
[2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine has a molecular weight of 249.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine is sourced from PubChem (CID 79259758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).