2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline

C12H15N3S — CID 105223953

IUPAC2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline
SMILESNNC(Cc1cccs1)c1ccccc1N
InChIInChI=1S/C12H15N3S/c13-11-6-2-1-5-10(11)12(15-14)8-9-4-3-7-16-9/h1-7,12,15H,8,13-14H2
InChIKeyYYCCJORJUHTZHQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.08
Rot. Bonds4

About 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline

2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline (PubChem CID 105223953) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline
PubChem CID105223953
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline
SMILESNNC(Cc1cccs1)c1ccccc1N
InChIInChI=1S/C12H15N3S/c13-11-6-2-1-5-10(11)12(15-14)8-9-4-3-7-16-9/h1-7,12,15H,8,13-14H2
InChIKeyYYCCJORJUHTZHQ-UHFFFAOYSA-N
XLogP2.08
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline 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-ethylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105295586
[1-(2,3-dimethylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105211766
[1-(2-methylthiophen-3-yl)-2-thiophen-2-ylethyl]hydrazine
CID 102842712
2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105223951
[1-(2-bromo-3-fluorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105295484
[1-(3-chloro-2-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 107103630
2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105223929
[1-(2-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine
CID 105295492
(1-pyridin-4-yl-2-thiophen-2-ylethyl)hydrazine
CID 105196601
[1-(2-fluoro-5-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105211767
[1-(2-chloro-4-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 106859801
[1-(2-methoxy-3,4-dimethylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 103435894

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline (CID 105223953) is 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline is NNC(Cc1cccs1)c1ccccc1N.
What is the InChIKey of 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline?
The InChIKey is YYCCJORJUHTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-11-6-2-1-5-10(11)12(15-14)8-9-4-3-7-16-9/h1-7,12,15H,8,13-14H2.
What are the key properties of 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline?
2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline has a molecular weight of 233.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 105223953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).