ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

C32H23N3O5S — CID 6222490

About ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (PubChem CID 6222490) has the molecular formula C32H23N3O5S and a molecular weight of 561.62 g/mol. Its IUPAC name is ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
• PubChem CID: 6222490
• Molecular Formula: C32H23N3O5S
• Molecular Weight: 561.62 g/mol
• Exact Mass: 561.14
• IUPAC Name: ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
• SMILES: CCOC(=O)C1=c2s/c(=C\c3ccc(-c4ccccc4)o3)c(=O)n2C(N)=C(C#N)C1c1ccc(-c2ccccc2)o1
• InChI: InChI=1S/C32H23N3O5S/c1-2-38-32(37)28-27(25-16-15-24(40-25)20-11-7-4-8-12-20)22(18-33)29(34)35-30(36)26(41-31(28)35)17-21-13-14-23(39-21)19-9-5-3-6-10-19/h3-17,27H,2,34H2,1H3/b26-17-
• InChIKey: RCMURZVIKAMXLC-ONUIUJJFSA-N
• XLogP: 4.42
• TPSA: 124.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.62
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?

The IUPAC name of ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (CID 6222490) is ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.

What is the SMILES notation for ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?

The canonical SMILES for ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is CCOC(=O)C1=c2s/c(=C\c3ccc(-c4ccccc4)o3)c(=O)n2C(N)=C(C#N)C1c1ccc(-c2ccccc2)o1.

What is the InChIKey of ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?

The InChIKey is RCMURZVIKAMXLC-ONUIUJJFSA-N. The full InChI is InChI=1S/C32H23N3O5S/c1-2-38-32(37)28-27(25-16-15-24(40-25)20-11-7-4-8-12-20)22(18-33)29(34)35-30(36)26(41-31(28)35)17-21-13-14-23(39-21)19-9-5-3-6-10-19/h3-17,27H,2,34H2,1H3/b26-17-.

What are the key properties of ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?

ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate has a molecular weight of 561.62 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(5-phenylfuran-2-yl)-2-[(5-phenylfuran-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 6222490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).