[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine

C13H14Br2N2OS — CID 105295836

IUPAC[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
SMILESCOc1cc(Br)ccc1C(Cc1ccc(Br)s1)NN
InChIInChI=1S/C13H14Br2N2OS/c1-18-12-6-8(14)2-4-10(12)11(17-16)7-9-3-5-13(15)19-9/h2-6,11,17H,7,16H2,1H3
InChIKeyWXDKAVRAOOVOBT-UHFFFAOYSA-N
MW406.14 g/mol
LogP4.03
Rot. Bonds5

About [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine

[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine (PubChem CID 105295836) has the molecular formula C13H14Br2N2OS and a molecular weight of 406.14 g/mol. Its IUPAC name is [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
PubChem CID105295836
Molecular FormulaC13H14Br2N2OS
Molecular Weight406.14 g/mol
Exact Mass403.92
IUPAC Name[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
SMILESCOc1cc(Br)ccc1C(Cc1ccc(Br)s1)NN
InChIInChI=1S/C13H14Br2N2OS/c1-18-12-6-8(14)2-4-10(12)11(17-16)7-9-3-5-13(15)19-9/h2-6,11,17H,7,16H2,1H3
InChIKeyWXDKAVRAOOVOBT-UHFFFAOYSA-N
XLogP4.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.14
LogP ≤ 54.03
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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Related Compounds

[1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105296071
[2-(5-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191030
[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841674
[1-(4-chloro-2-methoxyphenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296484
[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105311172
1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
[2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295646
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine (CID 105295836) is [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine is COc1cc(Br)ccc1C(Cc1ccc(Br)s1)NN.
What is the InChIKey of [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine?
The InChIKey is WXDKAVRAOOVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2OS/c1-18-12-6-8(14)2-4-10(12)11(17-16)7-9-3-5-13(15)19-9/h2-6,11,17H,7,16H2,1H3.
What are the key properties of [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine?
[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine has a molecular weight of 406.14 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105295836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).