[2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine

C16H21BrN2S — CID 105295802

IUPAC[2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine
SMILESCC(C)(C)c1ccc(C(Cc2ccc(Br)s2)NN)cc1
InChIInChI=1S/C16H21BrN2S/c1-16(2,3)12-6-4-11(5-7-12)14(19-18)10-13-8-9-15(17)20-13/h4-9,14,19H,10,18H2,1-3H3
InChIKeyRGVLDKMAFSJTJS-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.56
Rot. Bonds4

About [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine

[2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine (PubChem CID 105295802) has the molecular formula C16H21BrN2S and a molecular weight of 353.33 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine
PubChem CID105295802
Molecular FormulaC16H21BrN2S
Molecular Weight353.33 g/mol
Exact Mass352.06
IUPAC Name[2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine
SMILESCC(C)(C)c1ccc(C(Cc2ccc(Br)s2)NN)cc1
InChIInChI=1S/C16H21BrN2S/c1-16(2,3)12-6-4-11(5-7-12)14(19-18)10-13-8-9-15(17)20-13/h4-9,14,19H,10,18H2,1-3H3
InChIKeyRGVLDKMAFSJTJS-UHFFFAOYSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-bromothiophen-2-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105197265
[2-(5-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192594
[2-(5-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203973
[1-(5-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202918
[1-(4-bromophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105192436
[2-(5-bromothiophen-2-yl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 105192898
[2-(5-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191030
1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842628
[2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260361
[1-(4-tert-butylphenyl)-3,3-dimethylbutyl]hydrazine
CID 105220487
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105295836

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine (CID 105295802) is [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine is CC(C)(C)c1ccc(C(Cc2ccc(Br)s2)NN)cc1.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine?
The InChIKey is RGVLDKMAFSJTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2S/c1-16(2,3)12-6-4-11(5-7-12)14(19-18)10-13-8-9-15(17)20-13/h4-9,14,19H,10,18H2,1-3H3.
What are the key properties of [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine?
[2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine has a molecular weight of 353.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105295802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).