[1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine

C16H14BrFN2S — CID 105296678

IUPAC[1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Br)c1csc2ccccc12
InChIInChI=1S/C16H14BrFN2S/c17-14-8-11(18)6-5-10(14)7-15(20-19)13-9-21-16-4-2-1-3-12(13)16/h1-6,8-9,15,20H,7,19H2
InChIKeyQLIDFUMDDWSEEW-UHFFFAOYSA-N
MW365.27 g/mol
LogP4.55
Rot. Bonds4

About [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine

[1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine (PubChem CID 105296678) has the molecular formula C16H14BrFN2S and a molecular weight of 365.27 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine
PubChem CID105296678
Molecular FormulaC16H14BrFN2S
Molecular Weight365.27 g/mol
Exact Mass364.00
IUPAC Name[1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Br)c1csc2ccccc12
InChIInChI=1S/C16H14BrFN2S/c17-14-8-11(18)6-5-10(14)7-15(20-19)13-9-21-16-4-2-1-3-12(13)16/h1-6,8-9,15,20H,7,19H2
InChIKeyQLIDFUMDDWSEEW-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 54.55
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-(1-benzothiophen-3-yl)-1-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105291698
[1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286405
[1-(3-bromo-2-chlorophenyl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105296712
[2-(2-bromophenyl)-1-(2,5-difluorophenyl)ethyl]hydrazine
CID 105214918
[2-(2-bromo-4-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203629
[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105398126
[2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105258571
[2-(1-benzothiophen-3-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222485
[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261810
[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105291760
4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231120
[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194059

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine (CID 105296678) is [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine is NNC(Cc1ccc(F)cc1Br)c1csc2ccccc12.
What is the InChIKey of [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine?
The InChIKey is QLIDFUMDDWSEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2S/c17-14-8-11(18)6-5-10(14)7-15(20-19)13-9-21-16-4-2-1-3-12(13)16/h1-6,8-9,15,20H,7,19H2.
What are the key properties of [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine?
[1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine has a molecular weight of 365.27 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105296678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).