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

C16H14BrClN2S — CID 105291718

IUPAC[2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine
SMILESNNC(Cc1csc2ccccc12)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrClN2S/c17-13-6-5-10(7-14(13)18)15(20-19)8-11-9-21-16-4-2-1-3-12(11)16/h1-7,9,15,20H,8,19H2
InChIKeyGTGZJFMIBSGPGR-UHFFFAOYSA-N
MW381.73 g/mol
LogP5.06
Rot. Bonds4

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

[2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine (PubChem CID 105291718) has the molecular formula C16H14BrClN2S and a molecular weight of 381.73 g/mol. Its IUPAC name is [2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine
PubChem CID105291718
Molecular FormulaC16H14BrClN2S
Molecular Weight381.73 g/mol
Exact Mass379.97
IUPAC Name[2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine
SMILESNNC(Cc1csc2ccccc12)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrClN2S/c17-13-6-5-10(7-14(13)18)15(20-19)8-11-9-21-16-4-2-1-3-12(11)16/h1-7,9,15,20H,8,19H2
InChIKeyGTGZJFMIBSGPGR-UHFFFAOYSA-N
XLogP5.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 55.06
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-(3-chloro-4-iodophenyl)ethyl]hydrazine
CID 103217331
[2-(1-benzothiophen-3-yl)-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105197098
[2-(1-benzothiophen-3-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222485
[2-(1-benzothiophen-3-yl)-1-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105291698
[1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105295531
2-(1-benzothiophen-3-yl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 115823976
[1-(4-bromo-3-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105297052
[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
CID 105214923
[1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105288913
[1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287745
[1-(4-bromo-3-chlorophenyl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342880
[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317536

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine (CID 105291718) is [2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine is NNC(Cc1csc2ccccc12)c1ccc(Br)c(Cl)c1.
What is the InChIKey of [2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine?
The InChIKey is GTGZJFMIBSGPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2S/c17-13-6-5-10(7-14(13)18)15(20-19)8-11-9-21-16-4-2-1-3-12(11)16/h1-7,9,15,20H,8,19H2.
What are the key properties of [2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine?
[2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine has a molecular weight of 381.73 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105291718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).