lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

C26H17F3LiNO3S — CID 102298331

About lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 102298331) has the molecular formula C26H17F3LiNO3S and a molecular weight of 487.43 g/mol. Its IUPAC name is lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
• PubChem CID: 102298331
• Molecular Formula: C26H17F3LiNO3S
• Molecular Weight: 487.43 g/mol
• Exact Mass: 487.10
• IUPAC Name: lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
• SMILES: O=C([O-])[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3ccc4ccccc4c3)cc(=O)n21.[Li+]
• InChI: InChI=1S/C26H18F3NO3S.Li/c27-26(28,29)20-7-3-6-18(12-20)23-19(11-15-8-9-16-4-1-2-5-17(16)10-15)13-22(31)30-21(25(32)33)14-34-24(23)30;/h1-10,12-13,21H,11,14H2,(H,32,33);/q;+1/p-1/t21-;/m0./s1
• InChIKey: IGRCIIRSYQCPBX-BOXHHOBZSA-M
• XLogP: 1.68
• TPSA: 62.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.43
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?

The IUPAC name of lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 102298331) is lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

What is the SMILES notation for lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?

The canonical SMILES for lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is O=C([O-])[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3ccc4ccccc4c3)cc(=O)n21.[Li+].

What is the InChIKey of lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?

The InChIKey is IGRCIIRSYQCPBX-BOXHHOBZSA-M. The full InChI is InChI=1S/C26H18F3NO3S.Li/c27-26(28,29)20-7-3-6-18(12-20)23-19(11-15-8-9-16-4-1-2-5-17(16)10-15)13-22(31)30-21(25(32)33)14-34-24(23)30;/h1-10,12-13,21H,11,14H2,(H,32,33);/q;+1/p-1/t21-;/m0./s1.

What are the key properties of lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?

lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate has a molecular weight of 487.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for lithium (3R)-7-(naphthalen-2-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 102298331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).