[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine

C14H16Br2N2S — CID 107970529

IUPAC[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
SMILESCc1cccc(C)c1CC(NN)c1cc(Br)sc1Br
InChIInChI=1S/C14H16Br2N2S/c1-8-4-3-5-9(2)10(8)6-12(18-17)11-7-13(15)19-14(11)16/h3-5,7,12,18H,6,17H2,1-2H3
InChIKeyJMRHWLJQQSBGBF-UHFFFAOYSA-N
MW404.17 g/mol
LogP4.64
Rot. Bonds4

About [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine

[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine (PubChem CID 107970529) has the molecular formula C14H16Br2N2S and a molecular weight of 404.17 g/mol. Its IUPAC name is [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
PubChem CID107970529
Molecular FormulaC14H16Br2N2S
Molecular Weight404.17 g/mol
Exact Mass401.94
IUPAC Name[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
SMILESCc1cccc(C)c1CC(NN)c1cc(Br)sc1Br
InChIInChI=1S/C14H16Br2N2S/c1-8-4-3-5-9(2)10(8)6-12(18-17)11-7-13(15)19-14(11)16/h3-5,7,12,18H,6,17H2,1-2H3
InChIKeyJMRHWLJQQSBGBF-UHFFFAOYSA-N
XLogP4.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.17
LogP ≤ 54.64
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

[1-(2,5-dibromothiophen-3-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 107970668
[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 114022387
[2-(2-bromophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]hydrazine
CID 107970051
[1-(2,5-dibromothiophen-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107970504
[(2,5-dibromothiophen-3-yl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 107970220
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
CID 61081038
[1-(2-bromophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105208762
[1-(2,4-difluoro-5-methylphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329197
[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine
CID 107970665
[1-(2,5-dibromothiophen-3-yl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 107970134
[1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 107970439

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine (CID 107970529) is [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine is Cc1cccc(C)c1CC(NN)c1cc(Br)sc1Br.
What is the InChIKey of [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine?
The InChIKey is JMRHWLJQQSBGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2S/c1-8-4-3-5-9(2)10(8)6-12(18-17)11-7-13(15)19-14(11)16/h3-5,7,12,18H,6,17H2,1-2H3.
What are the key properties of [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine?
[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine has a molecular weight of 404.17 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine is sourced from PubChem (CID 107970529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).