2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

C16H15F3N4O3S — CID 155844721

IUPAC2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1coc(-c2cnc3n2CCN(Cc2nccs2)C3)c1
InChIInChI=1S/C14H14N4OS.C2HF3O2/c1-2-12(19-6-1)11-8-16-13-9-17(4-5-18(11)13)10-14-15-3-7-20-14;3-2(4,5)1(6)7/h1-3,6-8H,4-5,9-10H2;(H,6,7)
InChIKeyWURZAYXNMGXSPX-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.25
Rot. Bonds3

About 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 155844721) has the molecular formula C16H15F3N4O3S and a molecular weight of 400.38 g/mol. Its IUPAC name is 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID155844721
Molecular FormulaC16H15F3N4O3S
Molecular Weight400.38 g/mol
Exact Mass400.08
IUPAC Name2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1coc(-c2cnc3n2CCN(Cc2nccs2)C3)c1
InChIInChI=1S/C14H14N4OS.C2HF3O2/c1-2-12(19-6-1)11-8-16-13-9-17(4-5-18(11)13)10-14-15-3-7-20-14;3-2(4,5)1(6)7/h1-3,6-8H,4-5,9-10H2;(H,6,7)
InChIKeyWURZAYXNMGXSPX-UHFFFAOYSA-N
XLogP3.25
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 155844721) is 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1coc(-c2cnc3n2CCN(Cc2nccs2)C3)c1.
What is the InChIKey of 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is WURZAYXNMGXSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS.C2HF3O2/c1-2-12(19-6-1)11-8-16-13-9-17(4-5-18(11)13)10-14-15-3-7-20-14;3-2(4,5)1(6)7/h1-3,6-8H,4-5,9-10H2;(H,6,7).
What are the key properties of 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 400.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).