[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine

C16H17IN2S — CID 105310289

IUPAC[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)C1Cc2ccccc2S1
InChIInChI=1S/C16H17IN2S/c17-13-7-5-11(6-8-13)9-14(19-18)16-10-12-3-1-2-4-15(12)20-16/h1-8,14,16,19H,9-10,18H2
InChIKeyAYOQNDMLAFGWSU-UHFFFAOYSA-N
MW396.30 g/mol
LogP3.38
Rot. Bonds4

About [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine

[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine (PubChem CID 105310289) has the molecular formula C16H17IN2S and a molecular weight of 396.30 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
PubChem CID105310289
Molecular FormulaC16H17IN2S
Molecular Weight396.30 g/mol
Exact Mass396.02
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)C1Cc2ccccc2S1
InChIInChI=1S/C16H17IN2S/c17-13-7-5-11(6-8-13)9-14(19-18)16-10-12-3-1-2-4-15(12)20-16/h1-8,14,16,19H,9-10,18H2
InChIKeyAYOQNDMLAFGWSU-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 53.38
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 [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)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

Related Compounds

[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105317497
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 105101921
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105299519
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616
[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105314735
[1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105298148
[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328932
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
CID 105334973
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 105160573
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine (CID 105310289) is [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine is NNC(Cc1ccc(I)cc1)C1Cc2ccccc2S1.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The InChIKey is AYOQNDMLAFGWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2S/c17-13-7-5-11(6-8-13)9-14(19-18)16-10-12-3-1-2-4-15(12)20-16/h1-8,14,16,19H,9-10,18H2.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine?
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine has a molecular weight of 396.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 105310289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).