3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine

C17H12F6N2S2 — CID 151101401

IUPAC3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine
SMILESCCSc1c(-c2ccc(SC(F)(F)F)cc2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H12F6N2S2/c1-2-26-15-14(10-3-6-12(7-4-10)27-17(21,22)23)24-13-8-5-11(9-25(13)15)16(18,19)20/h3-9H,2H2,1H3
InChIKeyMOEWBSYPKVJJBM-UHFFFAOYSA-N
MW422.42 g/mol
LogP6.74
Rot. Bonds4

About 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine

3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 151101401) has the molecular formula C17H12F6N2S2 and a molecular weight of 422.42 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID151101401
Molecular FormulaC17H12F6N2S2
Molecular Weight422.42 g/mol
Exact Mass422.03
IUPAC Name3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine
SMILESCCSc1c(-c2ccc(SC(F)(F)F)cc2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H12F6N2S2/c1-2-26-15-14(10-3-6-12(7-4-10)27-17(21,22)23)24-13-8-5-11(9-25(13)15)16(18,19)20/h3-9H,2H2,1H3
InChIKeyMOEWBSYPKVJJBM-UHFFFAOYSA-N
XLogP6.74
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol
CID 156742112
3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163221579
6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one
CID 157313301
3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 144859954
2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 82356180
N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide
CID 170092848
2-pyridin-4-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82060763
2-(4-fluorophenyl)-3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 95967166
2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060793
2-amino-N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-5-(trifluoromethyl)benzamide
CID 170092905
1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 167889452
3-ethylsulfonyl-2-fluoro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163663312

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine (CID 151101401) is 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine is CCSc1c(-c2ccc(SC(F)(F)F)cc2)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is MOEWBSYPKVJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2S2/c1-2-26-15-14(10-3-6-12(7-4-10)27-17(21,22)23)24-13-8-5-11(9-25(13)15)16(18,19)20/h3-9H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine?
3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 422.42 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 151101401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).