2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline

C12H14ClN3S — CID 105223951

IUPAC2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline
SMILESNNC(Cc1ccc(Cl)s1)c1ccccc1N
InChIInChI=1S/C12H14ClN3S/c13-12-6-5-8(17-12)7-11(16-15)9-3-1-2-4-10(9)14/h1-6,11,16H,7,14-15H2
InChIKeyCDXWXWUWKWTEAO-UHFFFAOYSA-N
MW267.79 g/mol
LogP2.73
Rot. Bonds4

About 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline

2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline (PubChem CID 105223951) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline
PubChem CID105223951
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline
SMILESNNC(Cc1ccc(Cl)s1)c1ccccc1N
InChIInChI=1S/C12H14ClN3S/c13-12-6-5-8(17-12)7-11(16-15)9-3-1-2-4-10(9)14/h1-6,11,16H,7,14-15H2
InChIKeyCDXWXWUWKWTEAO-UHFFFAOYSA-N
XLogP2.73
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 52.73
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'}

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Related Compounds

[2-(5-chlorothiophen-2-yl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105295852
[2-(5-chlorothiophen-2-yl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251917
2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline
CID 105223953
[2-(5-chlorothiophen-2-yl)-1-thiophen-2-ylethyl]hydrazine
CID 105193742
[1-(4-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105217959
[1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105295898
[2-(5-chlorothiophen-2-yl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105295870
4-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230944
[2-(5-chlorothiophen-2-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107978997
[2-(5-chlorothiophen-2-yl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105295997
[2-(5-chlorothiophen-2-yl)-1-(furan-3-yl)ethyl]hydrazine
CID 105221418
[2-(5-chlorothiophen-2-yl)-1-quinoxalin-2-ylethyl]hydrazine
CID 107357843

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline (CID 105223951) is 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline is NNC(Cc1ccc(Cl)s1)c1ccccc1N.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline?
The InChIKey is CDXWXWUWKWTEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c13-12-6-5-8(17-12)7-11(16-15)9-3-1-2-4-10(9)14/h1-6,11,16H,7,14-15H2.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline?
2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline has a molecular weight of 267.79 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline is sourced from PubChem (CID 105223951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).