2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine

C9H11N3S — CID 39101600

IUPAC2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C9H11N3S/c10-4-3-7-9(12-6-11-7)8-2-1-5-13-8/h1-2,5-6H,3-4,10H2,(H,11,12)
InChIKeyIETGAJJKNNRANH-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.64
Rot. Bonds3

About 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine

2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine (PubChem CID 39101600) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
PubChem CID39101600
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C9H11N3S/c10-4-3-7-9(12-6-11-7)8-2-1-5-13-8/h1-2,5-6H,3-4,10H2,(H,11,12)
InChIKeyIETGAJJKNNRANH-UHFFFAOYSA-N
XLogP1.64
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine (CID 39101600) is 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine is NCCc1[nH]cnc1-c1cccs1.
What is the InChIKey of 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine?
The InChIKey is IETGAJJKNNRANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-4-3-7-9(12-6-11-7)8-2-1-5-13-8/h1-2,5-6H,3-4,10H2,(H,11,12).
What are the key properties of 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine?
2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine has a molecular weight of 193.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 39101600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).