N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide

C11H13N3OS — CID 110472557

IUPACN-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1ccnc1
InChIInChI=1S/C11H13N3OS/c15-11(8-10-2-1-7-16-10)13-4-6-14-5-3-12-9-14/h1-3,5,7,9H,4,6,8H2,(H,13,15)
InChIKeyYFRYGRMRDXQNRQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.30
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide

N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide (PubChem CID 110472557) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
PubChem CID110472557
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1ccnc1
InChIInChI=1S/C11H13N3OS/c15-11(8-10-2-1-7-16-10)13-4-6-14-5-3-12-9-14/h1-3,5,7,9H,4,6,8H2,(H,13,15)
InChIKeyYFRYGRMRDXQNRQ-UHFFFAOYSA-N
XLogP1.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
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N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
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N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
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1-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-3-(2-imidazol-1-ylethyl)urea
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(2S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
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N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide (CID 110472557) is N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is YFRYGRMRDXQNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-11(8-10-2-1-7-16-10)13-4-6-14-5-3-12-9-14/h1-3,5,7,9H,4,6,8H2,(H,13,15).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide?
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 235.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110472557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).