(3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid

C19H26F3N3O4S — CID 155823786

About (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid

(3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155823786) has the molecular formula C19H26F3N3O4S and a molecular weight of 449.50 g/mol. Its IUPAC name is (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155823786
• Molecular Formula: C19H26F3N3O4S
• Molecular Weight: 449.50 g/mol
• Exact Mass: 449.16
• IUPAC Name: (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1nc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC3CCC3)C2)cs1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H25N3O2S.C2HF3O2/c1-12-18-14(10-23-12)9-20-7-5-15-17(11-20,6-8-22-15)16(21)19-13-3-2-4-13;3-2(4,5)1(6)7/h10,13,15H,2-9,11H2,1H3,(H,19,21);(H,6,7)/t15-,17-;/m1./s1
• InChIKey: DBLUKRKRGATUDR-SSPJITILSA-N
• XLogP: 2.73
• TPSA: 91.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.50
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid (CID 155823786) is (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC3CCC3)C2)cs1.O=C(O)C(F)(F)F.

What is the InChIKey of (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is DBLUKRKRGATUDR-SSPJITILSA-N. The full InChI is InChI=1S/C17H25N3O2S.C2HF3O2/c1-12-18-14(10-23-12)9-20-7-5-15-17(11-20,6-8-22-15)16(21)19-13-3-2-4-13;3-2(4,5)1(6)7/h10,13,15H,2-9,11H2,1H3,(H,19,21);(H,6,7)/t15-,17-;/m1./s1.

What are the key properties of (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?

(3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 449.50 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155823786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).