1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide

C19H12F3N3O5S — CID 91150622

About 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide (PubChem CID 91150622) has the molecular formula C19H12F3N3O5S and a molecular weight of 451.38 g/mol. Its IUPAC name is 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide.

Molecular Properties

• Compound Name: 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide
• PubChem CID: 91150622
• Molecular Formula: C19H12F3N3O5S
• Molecular Weight: 451.38 g/mol
• Exact Mass: 451.04
• IUPAC Name: 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide
• SMILES: O=S1N(Cc2ccc(C(F)(F)F)o2)c2ncccc2C12COc1cc3c(nc12)OCO3
• InChI: InChI=1S/C19H12F3N3O5S/c20-19(21,22)14-4-3-10(30-14)7-25-16-11(2-1-5-23-16)18(31(25)26)8-27-12-6-13-17(24-15(12)18)29-9-28-13/h1-6H,7-9H2
• InChIKey: DBLCTQRAUZIRHQ-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 86.92 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.38
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide?

The IUPAC name of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide (CID 91150622) is 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide.

What is the SMILES notation for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide?

The canonical SMILES for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide is O=S1N(Cc2ccc(C(F)(F)F)o2)c2ncccc2C12COc1cc3c(nc12)OCO3.

What is the InChIKey of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide?

The InChIKey is DBLCTQRAUZIRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O5S/c20-19(21,22)14-4-3-10(30-14)7-25-16-11(2-1-5-23-16)18(31(25)26)8-27-12-6-13-17(24-15(12)18)29-9-28-13/h1-6H,7-9H2.

What are the key properties of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide?

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide has a molecular weight of 451.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide is sourced from PubChem (CID 91150622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).