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

C17H18N2OS — CID 105295339

IUPAC[1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)c2cc3ccccc3s2)c1
InChIInChI=1S/C17H18N2OS/c1-20-14-7-4-5-12(9-14)10-15(19-18)17-11-13-6-2-3-8-16(13)21-17/h2-9,11,15,19H,10,18H2,1H3
InChIKeyKNNJTMYSGSSYAN-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.66
Rot. Bonds5

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

[1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine (PubChem CID 105295339) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
PubChem CID105295339
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name[1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)c2cc3ccccc3s2)c1
InChIInChI=1S/C17H18N2OS/c1-20-14-7-4-5-12(9-14)10-15(19-18)17-11-13-6-2-3-8-16(13)21-17/h2-9,11,15,19H,10,18H2,1H3
InChIKeyKNNJTMYSGSSYAN-UHFFFAOYSA-N
XLogP3.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.66
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-[1-chloro-2-(3-methoxyphenyl)ethyl]-1-benzothiophene
CID 63544035
[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190967
[1-(5-fluoro-1-benzothiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285056
[1-(2-chlorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105205130
[2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105295350
[1-(2-ethylphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295404
[1-(3-ethoxyphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105192057
N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738448
[1-(5-bromofuran-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295409
[1-(1-benzothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868587
[1-(3-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105264219
[1-(1-benzothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053796

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine (CID 105295339) is [1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine is COc1cccc(CC(NN)c2cc3ccccc3s2)c1.
What is the InChIKey of [1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine?
The InChIKey is KNNJTMYSGSSYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-20-14-7-4-5-12(9-14)10-15(19-18)17-11-13-6-2-3-8-16(13)21-17/h2-9,11,15,19H,10,18H2,1H3.
What are the key properties of [1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine?
[1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine has a molecular weight of 298.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105295339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).