[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine

C13H14Br2N2OS — CID 105222004

IUPAC[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2ccc(Br)s2)cc1Br
InChIInChI=1S/C13H14Br2N2OS/c1-18-11-3-2-8(6-9(11)14)7-10(17-16)12-4-5-13(15)19-12/h2-6,10,17H,7,16H2,1H3
InChIKeyKCIWCXZJNHGSHB-UHFFFAOYSA-N
MW406.14 g/mol
LogP4.03
Rot. Bonds5

About [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine

[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine (PubChem CID 105222004) has the molecular formula C13H14Br2N2OS and a molecular weight of 406.14 g/mol. Its IUPAC name is [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
PubChem CID105222004
Molecular FormulaC13H14Br2N2OS
Molecular Weight406.14 g/mol
Exact Mass403.92
IUPAC Name[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2ccc(Br)s2)cc1Br
InChIInChI=1S/C13H14Br2N2OS/c1-18-11-3-2-8(6-9(11)14)7-10(17-16)12-4-5-13(15)19-12/h2-6,10,17H,7,16H2,1H3
InChIKeyKCIWCXZJNHGSHB-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

2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838
[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504894
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115818040
[1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
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[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
CID 105290221
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
[1-(5-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
CID 105290245
[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203976
2-(3-bromo-4-methoxyphenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115817818
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine (CID 105222004) is [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine is COc1ccc(CC(NN)c2ccc(Br)s2)cc1Br.
What is the InChIKey of [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine?
The InChIKey is KCIWCXZJNHGSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2OS/c1-18-11-3-2-8(6-9(11)14)7-10(17-16)12-4-5-13(15)19-12/h2-6,10,17H,7,16H2,1H3.
What are the key properties of [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine?
[2-(3-bromo-4-methoxyphenyl)-1-(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 [2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105222004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).