2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide

C13H14F3N3S — CID 82530385

IUPAC2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
SMILESCC(C)c1nc2ccc(C(F)(F)F)cn2c1CC(N)=S
InChIInChI=1S/C13H14F3N3S/c1-7(2)12-9(5-10(17)20)19-6-8(13(14,15)16)3-4-11(19)18-12/h3-4,6-7H,5H2,1-2H3,(H2,17,20)
InChIKeySLCIJUBOBAKZHB-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.31
Rot. Bonds3

About 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide

2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide (PubChem CID 82530385) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide.

Molecular Properties

Compound Name2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
PubChem CID82530385
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
SMILESCC(C)c1nc2ccc(C(F)(F)F)cn2c1CC(N)=S
InChIInChI=1S/C13H14F3N3S/c1-7(2)12-9(5-10(17)20)19-6-8(13(14,15)16)3-4-11(19)18-12/h3-4,6-7H,5H2,1-2H3,(H2,17,20)
InChIKeySLCIJUBOBAKZHB-UHFFFAOYSA-N
XLogP3.31
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134094
2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134126
2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82530388
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063206
[2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060770
1-[2-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 84711114
2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82030285
N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide
CID 66992189
[2-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82223814
2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 43154745
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 92939186
1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 167889452

Frequently Asked Questions

What is the IUPAC name of 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The IUPAC name of 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide (CID 82530385) is 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide.
What is the SMILES notation for 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The canonical SMILES for 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide is CC(C)c1nc2ccc(C(F)(F)F)cn2c1CC(N)=S.
What is the InChIKey of 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The InChIKey is SLCIJUBOBAKZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c1-7(2)12-9(5-10(17)20)19-6-8(13(14,15)16)3-4-11(19)18-12/h3-4,6-7H,5H2,1-2H3,(H2,17,20).
What are the key properties of 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide has a molecular weight of 301.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide is sourced from PubChem (CID 82530385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).