4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine

C14H16N2S — CID 118861434

IUPAC4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine
SMILESCCc1ccc(/C(C)=N/c2cscc2N)cc1
InChIInChI=1S/C14H16N2S/c1-3-11-4-6-12(7-5-11)10(2)16-14-9-17-8-13(14)15/h4-9H,3,15H2,1-2H3/b16-10+
InChIKeyTXGSBOKTGAYGRZ-MHWRWJLKSA-N
MW244.36 g/mol
LogP4.03
Rot. Bonds3

About 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine

4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine (PubChem CID 118861434) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine.

Molecular Properties

Compound Name4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine
PubChem CID118861434
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine
SMILESCCc1ccc(/C(C)=N/c2cscc2N)cc1
InChIInChI=1S/C14H16N2S/c1-3-11-4-6-12(7-5-11)10(2)16-14-9-17-8-13(14)15/h4-9H,3,15H2,1-2H3/b16-10+
InChIKeyTXGSBOKTGAYGRZ-MHWRWJLKSA-N
XLogP4.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine?
The IUPAC name of 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine (CID 118861434) is 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine.
What is the SMILES notation for 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine?
The canonical SMILES for 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine is CCc1ccc(/C(C)=N/c2cscc2N)cc1.
What is the InChIKey of 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine?
The InChIKey is TXGSBOKTGAYGRZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H16N2S/c1-3-11-4-6-12(7-5-11)10(2)16-14-9-17-8-13(14)15/h4-9H,3,15H2,1-2H3/b16-10+.
What are the key properties of 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine?
4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine has a molecular weight of 244.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylphenyl)ethylideneamino]thiophen-3-amine is sourced from PubChem (CID 118861434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).