5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

C20H19F3N4O3S — CID 45489149

IUPAC5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1CN1CCc2nc(-c3cnccn3)sc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18N4OS.C2HF3O2/c1-23-16-5-3-2-4-13(16)11-22-9-6-14-17(12-22)24-18(21-14)15-10-19-7-8-20-15;3-2(4,5)1(6)7/h2-5,7-8,10H,6,9,11-12H2,1H3;(H,6,7)
InChIKeyFJRZJQKQXVBJGL-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.80
Rot. Bonds4

About 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 45489149) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID45489149
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC Name5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1CN1CCc2nc(-c3cnccn3)sc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18N4OS.C2HF3O2/c1-23-16-5-3-2-4-13(16)11-22-9-6-14-17(12-22)24-18(21-14)15-10-19-7-8-20-15;3-2(4,5)1(6)7/h2-5,7-8,10H,6,9,11-12H2,1H3;(H,6,7)
InChIKeyFJRZJQKQXVBJGL-UHFFFAOYSA-N
XLogP3.80
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (CID 45489149) is 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is COc1ccccc1CN1CCc2nc(-c3cnccn3)sc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is FJRZJQKQXVBJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS.C2HF3O2/c1-23-16-5-3-2-4-13(16)11-22-9-6-14-17(12-22)24-18(21-14)15-10-19-7-8-20-15;3-2(4,5)1(6)7/h2-5,7-8,10H,6,9,11-12H2,1H3;(H,6,7).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 452.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 45489149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).