[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

C16H19IN2S — CID 105310301

IUPAC[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)C1CCCc2sccc21
InChIInChI=1S/C16H19IN2S/c17-12-6-4-11(5-7-12)10-15(19-18)13-2-1-3-16-14(13)8-9-20-16/h4-9,13,15,19H,1-3,10,18H2
InChIKeyIRIXBYGDQWKZLN-UHFFFAOYSA-N
MW398.31 g/mol
LogP3.85
Rot. Bonds4

About [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (PubChem CID 105310301) has the molecular formula C16H19IN2S and a molecular weight of 398.31 g/mol. Its IUPAC name is [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
PubChem CID105310301
Molecular FormulaC16H19IN2S
Molecular Weight398.31 g/mol
Exact Mass398.03
IUPAC Name[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)C1CCCc2sccc21
InChIInChI=1S/C16H19IN2S/c17-12-6-4-11(5-7-12)10-15(19-18)13-2-1-3-16-14(13)8-9-20-16/h4-9,13,15,19H,1-3,10,18H2
InChIKeyIRIXBYGDQWKZLN-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (CID 105310301) is [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is NNC(Cc1ccc(I)cc1)C1CCCc2sccc21.
What is the InChIKey of [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The InChIKey is IRIXBYGDQWKZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2S/c17-12-6-4-11(5-7-12)10-15(19-18)13-2-1-3-16-14(13)8-9-20-16/h4-9,13,15,19H,1-3,10,18H2.
What are the key properties of [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine has a molecular weight of 398.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105310301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).