2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole

C20H15F3N4OS — CID 59443835

IUPAC2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ccoc2)cn2cc(CN3CC=C(c4nccs4)C3)nc12
InChIInChI=1S/C20H15F3N4OS/c21-20(22,23)17-7-15(14-2-5-28-12-14)9-27-11-16(25-18(17)27)10-26-4-1-13(8-26)19-24-3-6-29-19/h1-3,5-7,9,11-12H,4,8,10H2
InChIKeyAKNOGOVESWPKTH-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.97
Rot. Bonds4

About 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole

2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole (PubChem CID 59443835) has the molecular formula C20H15F3N4OS and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole
PubChem CID59443835
Molecular FormulaC20H15F3N4OS
Molecular Weight416.43 g/mol
Exact Mass416.09
IUPAC Name2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ccoc2)cn2cc(CN3CC=C(c4nccs4)C3)nc12
InChIInChI=1S/C20H15F3N4OS/c21-20(22,23)17-7-15(14-2-5-28-12-14)9-27-11-16(25-18(17)27)10-26-4-1-13(8-26)19-24-3-6-29-19/h1-3,5-7,9,11-12H,4,8,10H2
InChIKeyAKNOGOVESWPKTH-UHFFFAOYSA-N
XLogP4.97
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole (CID 59443835) is 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole is FC(F)(F)c1cc(-c2ccoc2)cn2cc(CN3CC=C(c4nccs4)C3)nc12.
What is the InChIKey of 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole?
The InChIKey is AKNOGOVESWPKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4OS/c21-20(22,23)17-7-15(14-2-5-28-12-14)9-27-11-16(25-18(17)27)10-26-4-1-13(8-26)19-24-3-6-29-19/h1-3,5-7,9,11-12H,4,8,10H2.
What are the key properties of 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole?
2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole has a molecular weight of 416.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,5-dihydropyrrol-3-yl]-1,3-thiazole is sourced from PubChem (CID 59443835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).