2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C16H12F3N3O2S2 — CID 142460893

IUPAC2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12
InChIInChI=1S/C16H12F3N3O2S2/c1-3-26(23)14-12-10(4-5-24-12)25-13(14)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3
InChIKeyCTYZUAATCBLFEX-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.59
Rot. Bonds3

About 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 142460893) has the molecular formula C16H12F3N3O2S2 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID142460893
Molecular FormulaC16H12F3N3O2S2
Molecular Weight399.42 g/mol
Exact Mass399.03
IUPAC Name2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12
InChIInChI=1S/C16H12F3N3O2S2/c1-3-26(23)14-12-10(4-5-24-12)25-13(14)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3
InChIKeyCTYZUAATCBLFEX-UHFFFAOYSA-N
XLogP4.59
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 142460893) is 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12.
What is the InChIKey of 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is CTYZUAATCBLFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S2/c1-3-26(23)14-12-10(4-5-24-12)25-13(14)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 399.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylsulfinylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 142460893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).