5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine

C17H15F3N2S — CID 171652137

IUPAC5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)c1ccc(Sc2cc(C(F)(F)F)cc3nccn23)cc1
InChIInChI=1S/C17H15F3N2S/c1-11(2)12-3-5-14(6-4-12)23-16-10-13(17(18,19)20)9-15-21-7-8-22(15)16/h3-11H,1-2H3
InChIKeyZOWABINCIZCNQV-UHFFFAOYSA-N
MW336.38 g/mol
LogP5.63
Rot. Bonds3

About 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine

5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 171652137) has the molecular formula C17H15F3N2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID171652137
Molecular FormulaC17H15F3N2S
Molecular Weight336.38 g/mol
Exact Mass336.09
IUPAC Name5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)c1ccc(Sc2cc(C(F)(F)F)cc3nccn23)cc1
InChIInChI=1S/C17H15F3N2S/c1-11(2)12-3-5-14(6-4-12)23-16-10-13(17(18,19)20)9-15-21-7-8-22(15)16/h3-11H,1-2H3
InChIKeyZOWABINCIZCNQV-UHFFFAOYSA-N
XLogP5.63
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.38
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-chloro-2-pyridinyl)sulfanyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrochloride
CID 171652120
2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716296
(4-phenylsulfanylphenyl)-(4-propan-2-ylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium hexafluorophosphate
CID 162329267
5-[4-(methoxymethyl)phenoxy]-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 171652133
ethane;6-propan-2-ylimidazo[1,2-a]pyridine
CID 145229849
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 165479025
5-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 102716508
bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium
CID 88530520
(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol
CID 78951902
3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 118995444
8-chloro-3-[(4-propan-2-ylphenyl)methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 7870694

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 171652137) is 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine is CC(C)c1ccc(Sc2cc(C(F)(F)F)cc3nccn23)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is ZOWABINCIZCNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2S/c1-11(2)12-3-5-14(6-4-12)23-16-10-13(17(18,19)20)9-15-21-7-8-22(15)16/h3-11H,1-2H3.
What are the key properties of 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 336.38 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 171652137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).