5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine

C14H13N3S — CID 57330005

IUPAC5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine
SMILESCC(c1ccc(-c2ccsc2)nc1)n1ccnc1
InChIInChI=1S/C14H13N3S/c1-11(17-6-5-15-10-17)12-2-3-14(16-8-12)13-4-7-18-9-13/h2-11H,1H3
InChIKeyPFSBZWQJDUUIAA-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.62
Rot. Bonds3

About 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine

5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine (PubChem CID 57330005) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine.

Molecular Properties

Compound Name5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine
PubChem CID57330005
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine
SMILESCC(c1ccc(-c2ccsc2)nc1)n1ccnc1
InChIInChI=1S/C14H13N3S/c1-11(17-6-5-15-10-17)12-2-3-14(16-8-12)13-4-7-18-9-13/h2-11H,1H3
InChIKeyPFSBZWQJDUUIAA-UHFFFAOYSA-N
XLogP3.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

SK&F 105809
CID 129725
Imidazopyridine 10e
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1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
5,7-Dimethyl-2-((p-tolylthio)methyl)imidazo[1,2-a]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine?
The IUPAC name of 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine (CID 57330005) is 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine.
What is the SMILES notation for 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine?
The canonical SMILES for 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine is CC(c1ccc(-c2ccsc2)nc1)n1ccnc1.
What is the InChIKey of 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine?
The InChIKey is PFSBZWQJDUUIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-11(17-6-5-15-10-17)12-2-3-14(16-8-12)13-4-7-18-9-13/h2-11H,1H3.
What are the key properties of 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine?
5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine has a molecular weight of 255.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazol-1-ylethyl)-2-thiophen-3-ylpyridine is sourced from PubChem (CID 57330005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).