2-(1-ethylimidazol-2-yl)sulfanylpyridine

C10H11N3S — CID 130455766

IUPAC2-(1-ethylimidazol-2-yl)sulfanylpyridine
SMILESCCn1ccnc1Sc1ccccn1
InChIInChI=1S/C10H11N3S/c1-2-13-8-7-12-10(13)14-9-5-3-4-6-11-9/h3-8H,2H2,1H3
InChIKeyBRYXNACFEUBRNJ-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.45
Rot. Bonds3

About 2-(1-ethylimidazol-2-yl)sulfanylpyridine

2-(1-ethylimidazol-2-yl)sulfanylpyridine (PubChem CID 130455766) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)sulfanylpyridine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)sulfanylpyridine
PubChem CID130455766
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-(1-ethylimidazol-2-yl)sulfanylpyridine
SMILESCCn1ccnc1Sc1ccccn1
InChIInChI=1S/C10H11N3S/c1-2-13-8-7-12-10(13)14-9-5-3-4-6-11-9/h3-8H,2H2,1H3
InChIKeyBRYXNACFEUBRNJ-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine
CID 62137152
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 126122361
1-ethyl-2-propan-2-ylsulfanylimidazole
CID 117189957
2-[2-chloro-3-(1-ethylpyrazol-3-yl)phenyl]sulfanylpyridine
CID 175820833
2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
CID 52662333
2-(2-chloroethylsulfanyl)-1-ethylimidazole
CID 62136783
2-(1-ethylimidazol-2-yl)-6-pyridin-2-ylpyridine
CID 70693432
2-(1-ethylimidazol-2-yl)sulfanyl-5-fluorobenzaldehyde
CID 88622742
2-(4-ethyl-3-methylphenyl)sulfanylpyridine
CID 71179430
1-(1-ethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol
CID 54471729
ethyl 6-(1-benzylimidazol-2-yl)sulfanylpyridine-3-carboxylate
CID 31536166
2-sulfidosulfanylpyridine
CID 102510943

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanylpyridine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanylpyridine (CID 130455766) is 2-(1-ethylimidazol-2-yl)sulfanylpyridine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)sulfanylpyridine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)sulfanylpyridine is CCn1ccnc1Sc1ccccn1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)sulfanylpyridine?
The InChIKey is BRYXNACFEUBRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-2-13-8-7-12-10(13)14-9-5-3-4-6-11-9/h3-8H,2H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)sulfanylpyridine?
2-(1-ethylimidazol-2-yl)sulfanylpyridine has a molecular weight of 205.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)sulfanylpyridine is sourced from PubChem (CID 130455766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).