2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine

C17H16FN3S2 — CID 24906154

IUPAC2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine
SMILESCCSc1cc(-c2nc(SC)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H16FN3S2/c1-3-23-14-10-12(8-9-19-14)16-15(20-17(21-16)22-2)11-4-6-13(18)7-5-11/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyYDZIRFOTAHFWMI-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.11
Rot. Bonds5

About 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine

2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine (PubChem CID 24906154) has the molecular formula C17H16FN3S2 and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine
PubChem CID24906154
Molecular FormulaC17H16FN3S2
Molecular Weight345.47 g/mol
Exact Mass345.08
IUPAC Name2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine
SMILESCCSc1cc(-c2nc(SC)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H16FN3S2/c1-3-23-14-10-12(8-9-19-14)16-15(20-17(21-16)22-2)11-4-6-13(18)7-5-11/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyYDZIRFOTAHFWMI-UHFFFAOYSA-N
XLogP5.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine?
The IUPAC name of 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine (CID 24906154) is 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine is CCSc1cc(-c2nc(SC)[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine?
The InChIKey is YDZIRFOTAHFWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S2/c1-3-23-14-10-12(8-9-19-14)16-15(20-17(21-16)22-2)11-4-6-13(18)7-5-11/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine?
2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine has a molecular weight of 345.47 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 24906154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).