[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine

C16H15FN2OS — CID 103397828

IUPAC[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2csc3ccccc23)c(F)c1
InChIInChI=1S/C16H15FN2OS/c1-20-10-6-7-12(14(17)8-10)16(19-18)13-9-21-15-5-3-2-4-11(13)15/h2-9,16,19H,18H2,1H3
InChIKeyKNCQVQAYGMIKEK-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.60
Rot. Bonds4

About [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine

[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine (PubChem CID 103397828) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
PubChem CID103397828
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2csc3ccccc23)c(F)c1
InChIInChI=1S/C16H15FN2OS/c1-20-10-6-7-12(14(17)8-10)16(19-18)13-9-21-15-5-3-2-4-11(13)15/h2-9,16,19H,18H2,1H3
InChIKeyKNCQVQAYGMIKEK-UHFFFAOYSA-N
XLogP3.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105303991
[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397557
[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105398126
[(4-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397737
[(3,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397720
[1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105325318
[(4-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397835
[(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397533
[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
CID 106649802
[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765556
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106765355
[(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397690

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine (CID 103397828) is [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)c2csc3ccccc23)c(F)c1.
What is the InChIKey of [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The InChIKey is KNCQVQAYGMIKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-20-10-6-7-12(14(17)8-10)16(19-18)13-9-21-15-5-3-2-4-11(13)15/h2-9,16,19H,18H2,1H3.
What are the key properties of [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine has a molecular weight of 302.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 103397828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).