formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine

C15H15N3O2S — CID 163338192

IUPACformic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
SMILESCC(c1cccnc1)n1ccnc1-c1cccs1.O=CO
InChIInChI=1S/C14H13N3S.CH2O2/c1-11(12-4-2-6-15-10-12)17-8-7-16-14(17)13-5-3-9-18-13;2-1-3/h2-11H,1H3;1H,(H,2,3)
InChIKeyDVGPEQKKXHMRGX-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.32
Rot. Bonds3

About formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine

formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine (PubChem CID 163338192) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine.

Molecular Properties

Compound Nameformic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
PubChem CID163338192
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Nameformic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
SMILESCC(c1cccnc1)n1ccnc1-c1cccs1.O=CO
InChIInChI=1S/C14H13N3S.CH2O2/c1-11(12-4-2-6-15-10-12)17-8-7-16-14(17)13-5-3-9-18-13;2-1-3/h2-11H,1H3;1H,(H,2,3)
InChIKeyDVGPEQKKXHMRGX-UHFFFAOYSA-N
XLogP3.32
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole
CID 155913617
4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
CID 64719272
N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide
CID 116621681
1-(difluoromethyl)-2-thiophen-2-ylimidazole
CID 116621597
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 116621555
2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 43523812
ethyl 2-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 64662267
3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 114357734
methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate
CID 64706063
N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine
CID 64707252
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 106731651

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine?
The IUPAC name of formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine (CID 163338192) is formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine.
What is the SMILES notation for formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine?
The canonical SMILES for formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine is CC(c1cccnc1)n1ccnc1-c1cccs1.O=CO.
What is the InChIKey of formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine?
The InChIKey is DVGPEQKKXHMRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S.CH2O2/c1-11(12-4-2-6-15-10-12)17-8-7-16-14(17)13-5-3-9-18-13;2-1-3/h2-11H,1H3;1H,(H,2,3).
What are the key properties of formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine?
formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine has a molecular weight of 301.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine is sourced from PubChem (CID 163338192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).