2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C22H16F3N3S3 — CID 135368082

IUPAC2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(-c3ccccc3)csc12
InChIInChI=1S/C22H16F3N3S3/c1-3-29-19-18-17(13(11-30-18)12-7-5-4-6-8-12)31-20(19)21-27-14-9-16(22(23,24)25)26-10-15(14)28(21)2/h4-11H,3H2,1-2H3
InChIKeyYSNXTYJUAKKARR-UHFFFAOYSA-N
MW475.59 g/mol
LogP7.71
Rot. Bonds4

About 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 135368082) has the molecular formula C22H16F3N3S3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID135368082
Molecular FormulaC22H16F3N3S3
Molecular Weight475.59 g/mol
Exact Mass475.05
IUPAC Name2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(-c3ccccc3)csc12
InChIInChI=1S/C22H16F3N3S3/c1-3-29-19-18-17(13(11-30-18)12-7-5-4-6-8-12)31-20(19)21-27-14-9-16(22(23,24)25)26-10-15(14)28(21)2/h4-11H,3H2,1-2H3
InChIKeyYSNXTYJUAKKARR-UHFFFAOYSA-N
XLogP7.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 135368082) is 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(-c3ccccc3)csc12.
What is the InChIKey of 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is YSNXTYJUAKKARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3S3/c1-3-29-19-18-17(13(11-30-18)12-7-5-4-6-8-12)31-20(19)21-27-14-9-16(22(23,24)25)26-10-15(14)28(21)2/h4-11H,3H2,1-2H3.
What are the key properties of 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 475.59 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylsulfanyl-3-phenylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 135368082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).