N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide

C11H13N3OS — CID 4053681

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1cnc[nH]1
InChIInChI=1S/C11H13N3OS/c15-11(6-10-2-1-5-16-10)13-4-3-9-7-12-8-14-9/h1-2,5,7-8H,3-4,6H2,(H,12,14)(H,13,15)
InChIKeyTXJOIJKOCJPSBY-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 4053681) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID4053681
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1cnc[nH]1
InChIInChI=1S/C11H13N3OS/c15-11(6-10-2-1-5-16-10)13-4-3-9-7-12-8-14-9/h1-2,5,7-8H,3-4,6H2,(H,12,14)(H,13,15)
InChIKeyTXJOIJKOCJPSBY-UHFFFAOYSA-N
XLogP1.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide (CID 4053681) is N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is TXJOIJKOCJPSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-11(6-10-2-1-5-16-10)13-4-3-9-7-12-8-14-9/h1-2,5,7-8H,3-4,6H2,(H,12,14)(H,13,15).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 235.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4053681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).