[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine

C16H19FN2OS — CID 105334246

IUPAC[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)c2cc3c(s2)CCC3)c1F
InChIInChI=1S/C16H19FN2OS/c1-20-13-6-2-5-11(16(13)17)8-12(19-18)15-9-10-4-3-7-14(10)21-15/h2,5-6,9,12,19H,3-4,7-8,18H2,1H3
InChIKeyIOFXBIYKAJVWMS-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.13
Rot. Bonds5

About [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine

[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine (PubChem CID 105334246) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
PubChem CID105334246
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)c2cc3c(s2)CCC3)c1F
InChIInChI=1S/C16H19FN2OS/c1-20-13-6-2-5-11(16(13)17)8-12(19-18)15-9-10-4-3-7-14(10)21-15/h2,5-6,9,12,19H,3-4,7-8,18H2,1H3
InChIKeyIOFXBIYKAJVWMS-UHFFFAOYSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.13
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

[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105329255
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 107312914
[2-(5-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 103053843
[2-(4-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105342696
[2-(2,6-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105293121
[2-(3,5-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105413104
[1-(3,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105207998
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 115843819
[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105287656
[1-(3-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105194806
[2-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105334210
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377291

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine (CID 105334246) is [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine is COc1cccc(CC(NN)c2cc3c(s2)CCC3)c1F.
What is the InChIKey of [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine?
The InChIKey is IOFXBIYKAJVWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-20-13-6-2-5-11(16(13)17)8-12(19-18)15-9-10-4-3-7-14(10)21-15/h2,5-6,9,12,19H,3-4,7-8,18H2,1H3.
What are the key properties of [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine?
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine has a molecular weight of 306.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105334246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).