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

C13H15BrN2OS — CID 105205541

IUPAC[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2sccc2Br)cc1
InChIInChI=1S/C13H15BrN2OS/c1-17-10-4-2-9(3-5-10)8-12(16-15)13-11(14)6-7-18-13/h2-7,12,16H,8,15H2,1H3
InChIKeyDLGQMINQNLUYAD-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.27
Rot. Bonds5

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

[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine (PubChem CID 105205541) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
PubChem CID105205541
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2sccc2Br)cc1
InChIInChI=1S/C13H15BrN2OS/c1-17-10-4-2-9(3-5-10)8-12(16-15)13-11(14)6-7-18-13/h2-7,12,16H,8,15H2,1H3
InChIKeyDLGQMINQNLUYAD-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.27
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-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310605
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 63799484
[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297810
[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105290517
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
[2-(4-iodophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105310401
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
[(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105327987
[2-(3-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]hydrazine
CID 105299660
[1-(3-methylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296937

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine (CID 105205541) is [1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine is COc1ccc(CC(NN)c2sccc2Br)cc1.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine?
The InChIKey is DLGQMINQNLUYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-17-10-4-2-9(3-5-10)8-12(16-15)13-11(14)6-7-18-13/h2-7,12,16H,8,15H2,1H3.
What are the key properties of [1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine?
[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine has a molecular weight of 327.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105205541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).