ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane

C19H19N3O5S2 — CID 53277748

About ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane

ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane (PubChem CID 53277748) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane.

Molecular Properties

• Compound Name: ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane
• PubChem CID: 53277748
• Molecular Formula: C19H19N3O5S2
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.08
• IUPAC Name: ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane
• SMILES: C.CCOC(=O)C1=c2s/c(=C\C(=O)OC)c(=O)n2C(N)=C(C#N)C1c1cccs1
• InChI: InChI=1S/C18H15N3O5S2.CH4/c1-3-26-18(24)14-13(10-5-4-6-27-10)9(8-19)15(20)21-16(23)11(28-17(14)21)7-12(22)25-2;/h4-7,13H,3,20H2,1-2H3;1H4/b11-7-
• InChIKey: WJLNSVKTUXVAHA-AJULUCINSA-N
• XLogP: 0.72
• TPSA: 124.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane (CID 53277748) is ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane.

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

The canonical SMILES for ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane is C.CCOC(=O)C1=c2s/c(=C\C(=O)OC)c(=O)n2C(N)=C(C#N)C1c1cccs1.

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

The InChIKey is WJLNSVKTUXVAHA-AJULUCINSA-N. The full InChI is InChI=1S/C18H15N3O5S2.CH4/c1-3-26-18(24)14-13(10-5-4-6-27-10)9(8-19)15(20)21-16(23)11(28-17(14)21)7-12(22)25-2;/h4-7,13H,3,20H2,1-2H3;1H4/b11-7-;.

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

ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane has a molecular weight of 433.51 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane is sourced from PubChem (CID 53277748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).