[1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine

C16H15FN2S — CID 105201464

IUPAC[1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cccc3ccsc23)cc1F
InChIInChI=1S/C16H15FN2S/c1-10-5-6-12(9-14(10)17)15(19-18)13-4-2-3-11-7-8-20-16(11)13/h2-9,15,19H,18H2,1H3
InChIKeyFBFGYBHRXQEKMF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.90
Rot. Bonds3

About [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine

[1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine (PubChem CID 105201464) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
PubChem CID105201464
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name[1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cccc3ccsc23)cc1F
InChIInChI=1S/C16H15FN2S/c1-10-5-6-12(9-14(10)17)15(19-18)13-4-2-3-11-7-8-20-16(11)13/h2-9,15,19H,18H2,1H3
InChIKeyFBFGYBHRXQEKMF-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.90
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-benzothiophen-7-yl-(4-fluorophenyl)methyl]hydrazine
CID 105192643
[1-benzothiophen-7-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105327731
[1-benzothiophen-7-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105327729
[1-benzothiophen-7-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105327742
[1-benzothiophen-7-yl-(5-bromo-2-fluorophenyl)methyl]hydrazine
CID 105280614
[1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methyl]hydrazine
CID 105327711
[1-benzothiophen-7-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251727
[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105327623
[1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine
CID 106850395
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
N-[1-benzothiophen-7-yl-(4-bromo-3-fluorophenyl)methyl]ethanamine
CID 105022096

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine (CID 105201464) is [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine is Cc1ccc(C(NN)c2cccc3ccsc23)cc1F.
What is the InChIKey of [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine?
The InChIKey is FBFGYBHRXQEKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-10-5-6-12(9-14(10)17)15(19-18)13-4-2-3-11-7-8-20-16(11)13/h2-9,15,19H,18H2,1H3.
What are the key properties of [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine?
[1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105201464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).