ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

C24H19N3O3S — CID 3772907

About ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate (PubChem CID 3772907) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
• PubChem CID: 3772907
• Molecular Formula: C24H19N3O3S
• Molecular Weight: 429.50 g/mol
• Exact Mass: 429.11
• IUPAC Name: ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
• SMILES: CCOC(=O)C1=C(N)n2c(sc(=Cc3ccccc3)c2=O)=C(C#N)C1c1ccccc1
• InChI: InChI=1S/C24H19N3O3S/c1-2-30-24(29)20-19(16-11-7-4-8-12-16)17(14-25)23-27(21(20)26)22(28)18(31-23)13-15-9-5-3-6-10-15/h3-13,19H,2,26H2,1H3
• InChIKey: RZJHQULBEIBGTI-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 98.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.50
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?

The IUPAC name of ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate (CID 3772907) is ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate.

What is the SMILES notation for ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?

The canonical SMILES for ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is CCOC(=O)C1=C(N)n2c(sc(=Cc3ccccc3)c2=O)=C(C#N)C1c1ccccc1.

What is the InChIKey of ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?

The InChIKey is RZJHQULBEIBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-2-30-24(29)20-19(16-11-7-4-8-12-16)17(14-25)23-27(21(20)26)22(28)18(31-23)13-15-9-5-3-6-10-15/h3-13,19H,2,26H2,1H3.

What are the key properties of ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?

ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate has a molecular weight of 429.50 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 3772907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).