ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine

C16H25N3S — CID 145497616

IUPACethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine
SMILESCC.CCCCCCSc1nc[nH]c1-c1cccnc1
InChIInChI=1S/C14H19N3S.C2H6/c1-2-3-4-5-9-18-14-13(16-11-17-14)12-7-6-8-15-10-12;1-2/h6-8,10-11H,2-5,9H2,1H3,(H,16,17);1-2H3
InChIKeyDYOGHYCVIMVEIY-UHFFFAOYSA-N
MW291.46 g/mol
LogP5.17
Rot. Bonds7

About ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine

ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine (PubChem CID 145497616) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine.

Molecular Properties

Compound Nameethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine
PubChem CID145497616
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Nameethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine
SMILESCC.CCCCCCSc1nc[nH]c1-c1cccnc1
InChIInChI=1S/C14H19N3S.C2H6/c1-2-3-4-5-9-18-14-13(16-11-17-14)12-7-6-8-15-10-12;1-2/h6-8,10-11H,2-5,9H2,1H3,(H,16,17);1-2H3
InChIKeyDYOGHYCVIMVEIY-UHFFFAOYSA-N
XLogP5.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-pentylsulfanyl-1H-pyrimidin-6-one
CID 107754002
5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106513798
5-bromo-4-pentylsulfanyl-1H-pyrimidin-6-one
CID 107754009
3-(4-octoxyphenyl)pyridine
CID 90176946
6-dodecylsulfanyl-7H-purine
CID 3778984
3-(5-ethyl-1H-imidazol-4-yl)pyridine
CID 45120975
3-(5-pentyl-1H-imidazol-2-yl)pyridine
CID 69088600
5-propan-2-yl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106513819
5-pentylsulfanyl-1H-imidazole
CID 19921749
3-octadecoxypyridine
CID 175800212
3-nitro-2-octylsulfanylpyridine
CID 174979790
4-octadecylsulfanylpyridine
CID 177449547

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine?
The IUPAC name of ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine (CID 145497616) is ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine.
What is the SMILES notation for ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine?
The canonical SMILES for ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine is CC.CCCCCCSc1nc[nH]c1-c1cccnc1.
What is the InChIKey of ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine?
The InChIKey is DYOGHYCVIMVEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S.C2H6/c1-2-3-4-5-9-18-14-13(16-11-17-14)12-7-6-8-15-10-12;1-2/h6-8,10-11H,2-5,9H2,1H3,(H,16,17);1-2H3.
What are the key properties of ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine?
ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine has a molecular weight of 291.46 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine is sourced from PubChem (CID 145497616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).