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

C16H12F3N3OS2 — CID 135368043

IUPAC2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12
InChIInChI=1S/C16H12F3N3OS2/c1-3-24-13-12-10(4-5-23-12)25-14(13)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3
InChIKeySAVBOSJKZMZNEV-UHFFFAOYSA-N
MW383.42 g/mol
LogP5.57
Rot. Bonds3

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

2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 135368043) has the molecular formula C16H12F3N3OS2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID135368043
Molecular FormulaC16H12F3N3OS2
Molecular Weight383.42 g/mol
Exact Mass383.04
IUPAC Name2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12
InChIInChI=1S/C16H12F3N3OS2/c1-3-24-13-12-10(4-5-23-12)25-14(13)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3
InChIKeySAVBOSJKZMZNEV-UHFFFAOYSA-N
XLogP5.57
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.42
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 135368043) is 2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12.
What is the InChIKey of 2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is SAVBOSJKZMZNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS2/c1-3-24-13-12-10(4-5-23-12)25-14(13)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-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 383.42 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylsulfanylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 135368043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).