N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide

C15H14N4OS — CID 86266129

IUPACN-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ccnc1-c1ccccn1)c1cccs1
InChIInChI=1S/C15H14N4OS/c20-15(13-5-3-11-21-13)18-8-10-19-9-7-17-14(19)12-4-1-2-6-16-12/h1-7,9,11H,8,10H2,(H,18,20)
InChIKeyIJHMGQFVAVQSHA-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide

N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 86266129) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID86266129
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ccnc1-c1ccccn1)c1cccs1
InChIInChI=1S/C15H14N4OS/c20-15(13-5-3-11-21-13)18-8-10-19-9-7-17-14(19)12-4-1-2-6-16-12/h1-7,9,11H,8,10H2,(H,18,20)
InChIKeyIJHMGQFVAVQSHA-UHFFFAOYSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 90588830
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
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CID 51091236
2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole
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CID 46961978
N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 121019897
N-(3-pyridin-2-yloxypropyl)thiophene-2-carboxamide
CID 19079216
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136734
2-(2-pyridin-2-ylimidazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide (CID 86266129) is N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCCn1ccnc1-c1ccccn1)c1cccs1.
What is the InChIKey of N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is IJHMGQFVAVQSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-15(13-5-3-11-21-13)18-8-10-19-9-7-17-14(19)12-4-1-2-6-16-12/h1-7,9,11H,8,10H2,(H,18,20).
What are the key properties of N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 86266129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).