[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine

C17H17FN2S — CID 105291760

IUPAC[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(C(Cc2csc3ccccc23)NN)c1F
InChIInChI=1S/C17H17FN2S/c1-11-5-4-7-14(17(11)18)15(20-19)9-12-10-21-16-8-3-2-6-13(12)16/h2-8,10,15,20H,9,19H2,1H3
InChIKeyCCBZTHZCEAATLW-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.10
Rot. Bonds4

About [2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine

[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine (PubChem CID 105291760) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is [2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
PubChem CID105291760
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(C(Cc2csc3ccccc23)NN)c1F
InChIInChI=1S/C17H17FN2S/c1-11-5-4-7-14(17(11)18)15(20-19)9-12-10-21-16-8-3-2-6-13(12)16/h2-8,10,15,20H,9,19H2,1H3
InChIKeyCCBZTHZCEAATLW-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.10
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-(2,3-dimethylphenyl)-N-methylethanamine
CID 115823499
[2-(1-benzothiophen-3-yl)-1-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105291698
[2-(1-benzothiophen-3-yl)-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105197098
[2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105291679
[2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 103053835
[2-(1-benzothiophen-3-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222485
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215688
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64713790
[2-(4-bromo-2-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105297488
2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 115823769
[2-(3,5-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105413149

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine (CID 105291760) is [2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine is Cc1cccc(C(Cc2csc3ccccc23)NN)c1F.
What is the InChIKey of [2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine?
The InChIKey is CCBZTHZCEAATLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-11-5-4-7-14(17(11)18)15(20-19)9-12-10-21-16-8-3-2-6-13(12)16/h2-8,10,15,20H,9,19H2,1H3.
What are the key properties of [2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine?
[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine has a molecular weight of 300.40 g/mol, XLogP of 4.10, 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-(2-fluoro-3-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105291760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).