2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol

C21H20F3N5O2S — CID 91468305

IUPAC2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESOC(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C21H20F3N5O2S/c22-21(23,24)17-9-15(14-1-7-31-13-14)11-29-12-16(26-19(17)29)10-18(30)27-3-5-28(6-4-27)20-25-2-8-32-20/h1-2,7-9,11-13,18,30H,3-6,10H2
InChIKeyZTIBSLJFRIBHAV-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.75
Rot. Bonds5

About 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol

2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol (PubChem CID 91468305) has the molecular formula C21H20F3N5O2S and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol
PubChem CID91468305
Molecular FormulaC21H20F3N5O2S
Molecular Weight463.49 g/mol
Exact Mass463.13
IUPAC Name2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESOC(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C21H20F3N5O2S/c22-21(23,24)17-9-15(14-1-7-31-13-14)11-29-12-16(26-19(17)29)10-18(30)27-3-5-28(6-4-27)20-25-2-8-32-20/h1-2,7-9,11-13,18,30H,3-6,10H2
InChIKeyZTIBSLJFRIBHAV-UHFFFAOYSA-N
XLogP3.75
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 57774658
6-(3-Furyl)-8-methyl-3-(phenethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 44588984
8-(3-Furyl)-6-methyl-3-(phenethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 44589083
6-(furan-2-yl)-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189879
3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25190169
(6-Furan-3-yl-3-hydroxymethyl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-(3-thiazol-2-yl-2,5-dihydro-pyrrol-1-yl)-methanone
CID 46864353
5-[[6-(Furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 46864505
3-Benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole
CID 46864506
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 46864758
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone
CID 46864760
(3-Cyclopropyl-6-furan-3-yl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-(3-thiazol-2-yl-2,5-dihydro-pyrrol-1-yl)-methanone
CID 46864811
N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]thiophene-2-carboxamide
CID 46865005

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol (CID 91468305) is 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol is OC(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The InChIKey is ZTIBSLJFRIBHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2S/c22-21(23,24)17-9-15(14-1-7-31-13-14)11-29-12-16(26-19(17)29)10-18(30)27-3-5-28(6-4-27)20-25-2-8-32-20/h1-2,7-9,11-13,18,30H,3-6,10H2.
What are the key properties of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol has a molecular weight of 463.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 91468305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).