5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

C17H23F3N4O3S — CID 118743113

IUPAC5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCCOCc1cnc2n1CCN(Cc1scnc1C)C2C.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4OS.C2HF3O2/c1-4-20-9-13-7-16-15-12(3)18(5-6-19(13)15)8-14-11(2)17-10-21-14;3-2(4,5)1(6)7/h7,10,12H,4-6,8-9H2,1-3H3;(H,6,7)
InChIKeyITBPYAWDEMCRJC-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.39
Rot. Bonds5

About 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 118743113) has the molecular formula C17H23F3N4O3S and a molecular weight of 420.46 g/mol. Its IUPAC name is 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID118743113
Molecular FormulaC17H23F3N4O3S
Molecular Weight420.46 g/mol
Exact Mass420.14
IUPAC Name5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCCOCc1cnc2n1CCN(Cc1scnc1C)C2C.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4OS.C2HF3O2/c1-4-20-9-13-7-16-15-12(3)18(5-6-19(13)15)8-14-11(2)17-10-21-14;3-2(4,5)1(6)7/h7,10,12H,4-6,8-9H2,1-3H3;(H,6,7)
InChIKeyITBPYAWDEMCRJC-UHFFFAOYSA-N
XLogP3.39
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 118743113) is 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is CCOCc1cnc2n1CCN(Cc1scnc1C)C2C.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is ITBPYAWDEMCRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS.C2HF3O2/c1-4-20-9-13-7-16-15-12(3)18(5-6-19(13)15)8-14-11(2)17-10-21-14;3-2(4,5)1(6)7/h7,10,12H,4-6,8-9H2,1-3H3;(H,6,7).
What are the key properties of 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 420.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).