[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine

C13H21BrN2O2S — CID 105276919

IUPAC[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
SMILESCCOC1(C(Cc2sccc2Br)NN)CCOCC1
InChIInChI=1S/C13H21BrN2O2S/c1-2-18-13(4-6-17-7-5-13)12(16-15)9-11-10(14)3-8-19-11/h3,8,12,16H,2,4-7,9,15H2,1H3
InChIKeyCOJYKTDSDRJQDY-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.47
Rot. Bonds6

About [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine

[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine (PubChem CID 105276919) has the molecular formula C13H21BrN2O2S and a molecular weight of 349.29 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
PubChem CID105276919
Molecular FormulaC13H21BrN2O2S
Molecular Weight349.29 g/mol
Exact Mass348.05
IUPAC Name[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
SMILESCCOC1(C(Cc2sccc2Br)NN)CCOCC1
InChIInChI=1S/C13H21BrN2O2S/c1-2-18-13(4-6-17-7-5-13)12(16-15)9-11-10(14)3-8-19-11/h3,8,12,16H,2,4-7,9,15H2,1H3
InChIKeyCOJYKTDSDRJQDY-UHFFFAOYSA-N
XLogP2.47
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.47
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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Related Compounds

[2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277367
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762214
[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276955
[2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276967
2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116768615
1-(4-ethoxyoxan-4-yl)propylhydrazine
CID 105276867
[1-(4-ethoxyoxan-4-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105276863
[2-(2,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276920
[2-(2,5-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276798
[2-(4-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278505
1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116765590
[1-(1-ethoxycyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105276332

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine (CID 105276919) is [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine is CCOC1(C(Cc2sccc2Br)NN)CCOCC1.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine?
The InChIKey is COJYKTDSDRJQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S/c1-2-18-13(4-6-17-7-5-13)12(16-15)9-11-10(14)3-8-19-11/h3,8,12,16H,2,4-7,9,15H2,1H3.
What are the key properties of [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine?
[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine has a molecular weight of 349.29 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105276919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).