2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid

C19H26F3N3O5S — CID 155833170

About 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid

2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 155833170) has the molecular formula C19H26F3N3O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155833170
• Molecular Formula: C19H26F3N3O5S
• Molecular Weight: 465.49 g/mol
• Exact Mass: 465.15
• IUPAC Name: 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1nc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCOCC3)C2)cs1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H25N3O3S.C2HF3O2/c1-13-18-15(10-24-13)8-19-7-14-9-23-12-17(14,11-19)6-16(21)20-2-4-22-5-3-20;3-2(4,5)1(6)7/h10,14H,2-9,11-12H2,1H3;(H,6,7)/t14-,17+;/m1./s1
• InChIKey: IASAXRMZQKDHFP-CVLQQERVSA-N
• XLogP: 1.78
• TPSA: 92.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.49
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid (CID 155833170) is 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid is Cc1nc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCOCC3)C2)cs1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?

The InChIKey is IASAXRMZQKDHFP-CVLQQERVSA-N. The full InChI is InChI=1S/C17H25N3O3S.C2HF3O2/c1-13-18-15(10-24-13)8-19-7-14-9-23-12-17(14,11-19)6-16(21)20-2-4-22-5-3-20;3-2(4,5)1(6)7/h10,14H,2-9,11-12H2,1H3;(H,6,7)/t14-,17+;/m1./s1.

What are the key properties of 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?

2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 465.49 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).