5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

C24H20N4O4S — CID 4042416

About 5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 4042416) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• PubChem CID: 4042416
• Molecular Formula: C24H20N4O4S
• Molecular Weight: 460.52 g/mol
• Exact Mass: 460.12
• IUPAC Name: 5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• SMILES: COc1ccccc1C=c1sc2n(c1=O)C(N)=C(C#N)C(c1ccccc1OC)C=2C(N)=O
• InChI: InChI=1S/C24H20N4O4S/c1-31-16-9-5-3-7-13(16)11-18-23(30)28-21(26)15(12-25)19(20(22(27)29)24(28)33-18)14-8-4-6-10-17(14)32-2/h3-11,19H,26H2,1-2H3,(H2,27,29)
• InChIKey: HVKAPGYFCPRTFV-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 133.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.52
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 4042416) is 5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

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

The canonical SMILES for 5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is COc1ccccc1C=c1sc2n(c1=O)C(N)=C(C#N)C(c1ccccc1OC)C=2C(N)=O.

What is the InChIKey of 5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?

The InChIKey is HVKAPGYFCPRTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-31-16-9-5-3-7-13(16)11-18-23(30)28-21(26)15(12-25)19(20(22(27)29)24(28)33-18)14-8-4-6-10-17(14)32-2/h3-11,19H,26H2,1-2H3,(H2,27,29).

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

5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 4042416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).