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

C16H12F3N3S3 — CID 142460890

IUPAC2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccsc12
InChIInChI=1S/C16H12F3N3S3/c1-3-23-13-12-10(4-5-24-12)25-14(13)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3
InChIKeyLNOPERIUNMYNMB-UHFFFAOYSA-N
MW399.49 g/mol
LogP6.04
Rot. Bonds3

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

2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 142460890) has the molecular formula C16H12F3N3S3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID142460890
Molecular FormulaC16H12F3N3S3
Molecular Weight399.49 g/mol
Exact Mass399.01
IUPAC Name2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccsc12
InChIInChI=1S/C16H12F3N3S3/c1-3-23-13-12-10(4-5-24-12)25-14(13)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3
InChIKeyLNOPERIUNMYNMB-UHFFFAOYSA-N
XLogP6.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine with MolForge

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Related Compounds

2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122641739
3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]thieno[2,3-b]pyridine
CID 130380491
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135222430
5-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
CID 154980356
2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235222
2-bromo-4-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole;hydrate
CID 162323588
2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430797
1-[3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]cyclopropane-1-carbonitrile
CID 146269029
5-ethylsulfanyl-2-iodo-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 147995964
2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 166141337
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 122646789

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 142460890) is 2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccsc12.
What is the InChIKey of 2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is LNOPERIUNMYNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3S3/c1-3-23-13-12-10(4-5-24-12)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]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 399.49 g/mol, XLogP of 6.04, 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]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 142460890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).