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

C19H23F6N5O5S — CID 155848424

IUPAC4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1csc(CN2CCn3cc(CN4CCOCC4)nc3C2)n1
InChIInChI=1S/C15H21N5OS.2C2HF3O2/c1-8-22-15(16-1)12-19-2-3-20-10-13(17-14(20)11-19)9-18-4-6-21-7-5-18;2*3-2(4,5)1(6)7/h1,8,10H,2-7,9,11-12H2;2*(H,6,7)
InChIKeyYHHTXOXLIALHIS-UHFFFAOYSA-N
MW547.48 g/mol
LogP2.45
Rot. Bonds4

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

4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155848424) has the molecular formula C19H23F6N5O5S and a molecular weight of 547.48 g/mol. Its IUPAC name is 4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155848424
Molecular FormulaC19H23F6N5O5S
Molecular Weight547.48 g/mol
Exact Mass547.13
IUPAC Name4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1csc(CN2CCn3cc(CN4CCOCC4)nc3C2)n1
InChIInChI=1S/C15H21N5OS.2C2HF3O2/c1-8-22-15(16-1)12-19-2-3-20-10-13(17-14(20)11-19)9-18-4-6-21-7-5-18;2*3-2(4,5)1(6)7/h1,8,10H,2-7,9,11-12H2;2*(H,6,7)
InChIKeyYHHTXOXLIALHIS-UHFFFAOYSA-N
XLogP2.45
TPSA121.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) (CID 155848424) is 4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1csc(CN2CCn3cc(CN4CCOCC4)nc3C2)n1.
What is the InChIKey of 4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YHHTXOXLIALHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS.2C2HF3O2/c1-8-22-15(16-1)12-19-2-3-20-10-13(17-14(20)11-19)9-18-4-6-21-7-5-18;2*3-2(4,5)1(6)7/h1,8,10H,2-7,9,11-12H2;2*(H,6,7).
What are the key properties of 4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)?
4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 547.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155848424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).