diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

About diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate (PubChem CID 91126253) has the molecular formula C22H20N2O7S and a molecular weight of 456.48 g/mol. Its IUPAC name is diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.

Molecular Properties

Compound Name	diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
PubChem CID	91126253
Molecular Formula	C22H20N2O7S
Molecular Weight	456.48 g/mol
Exact Mass	456.10
IUPAC Name	diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
SMILES	[H]/N=C1/C(C(=O)OCC)C(c2ccco2)C(C(=O)OCC)=c2sc(=Cc3ccco3)c(=O)n21
InChI	InChI=1S/C22H20N2O7S/c1-3-28-21(26)16-15(13-8-6-10-31-13)17(22(27)29-4-2)20-24(18(16)23)19(25)14(32-20)11-12-7-5-9-30-12/h5-11,15-16,23H,3-4H2,1-2H3/b14-11?,23-18-
InChIKey	AXBLAPUAZWJKLG-SFSHAPSISA-N
XLogP	1.44
TPSA	124.73 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.48
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate?

The IUPAC name of diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate (CID 91126253) is diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.

What is the SMILES notation for diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate?

The canonical SMILES for diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate is [H]/N=C1/C(C(=O)OCC)C(c2ccco2)C(C(=O)OCC)=c2sc(=Cc3ccco3)c(=O)n21.

What is the InChIKey of diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate?

The InChIKey is AXBLAPUAZWJKLG-SFSHAPSISA-N. The full InChI is InChI=1S/C22H20N2O7S/c1-3-28-21(26)16-15(13-8-6-10-31-13)17(22(27)29-4-2)20-24(18(16)23)19(25)14(32-20)11-12-7-5-9-30-12/h5-11,15-16,23H,3-4H2,1-2H3/b14-11?,23-18-.

What are the key properties of diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate?

diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate has a molecular weight of 456.48 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl 7-(furan-2-yl)-2-(furan-2-ylmethylidene)-5-imino-3-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate is sourced from PubChem (CID 91126253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).