2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

C18H22F6N4O5S — CID 155828862

IUPAC2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESCCOCC1CN(Cc2nccs2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4OS.2C2HF3O2/c1-3-19-9-11-6-18(8-13-15-4-5-20-13)7-12-14(11)17(2)10-16-12;2*3-2(4,5)1(6)7/h4-5,10-11H,3,6-9H2,1-2H3;2*(H,6,7)
InChIKeyGSDOMEYNACPOTE-UHFFFAOYSA-N
MW520.45 g/mol
LogP3.28
Rot. Bonds5

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

2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155828862) has the molecular formula C18H22F6N4O5S and a molecular weight of 520.45 g/mol. Its IUPAC name is 2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
PubChem CID155828862
Molecular FormulaC18H22F6N4O5S
Molecular Weight520.45 g/mol
Exact Mass520.12
IUPAC Name2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESCCOCC1CN(Cc2nccs2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4OS.2C2HF3O2/c1-3-19-9-11-6-18(8-13-15-4-5-20-13)7-12-14(11)17(2)10-16-12;2*3-2(4,5)1(6)7/h4-5,10-11H,3,6-9H2,1-2H3;2*(H,6,7)
InChIKeyGSDOMEYNACPOTE-UHFFFAOYSA-N
XLogP3.28
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 155828862) is 2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is CCOCC1CN(Cc2nccs2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GSDOMEYNACPOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS.2C2HF3O2/c1-3-19-9-11-6-18(8-13-15-4-5-20-13)7-12-14(11)17(2)10-16-12;2*3-2(4,5)1(6)7/h4-5,10-11H,3,6-9H2,1-2H3;2*(H,6,7).
What are the key properties of 2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 520.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155828862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).