4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide

C22H19ClN4O4S — CID 108728824

About 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide

4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide (PubChem CID 108728824) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide
• PubChem CID: 108728824
• Molecular Formula: C22H19ClN4O4S
• Molecular Weight: 470.94 g/mol
• Exact Mass: 470.08
• IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide
• SMILES: COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1nc2scc(-c3ccccc3OC)n2n1
• InChI: InChI=1S/C22H19ClN4O4S/c1-30-18-6-4-3-5-14(18)16-12-32-22-25-21(26-27(16)22)24-20(29)10-8-17(28)15-11-13(23)7-9-19(15)31-2/h3-7,9,11-12H,8,10H2,1-2H3,(H,24,26,29)
• InChIKey: GMFDQDWNJXWWDZ-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.94
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide?

The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide (CID 108728824) is 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide.

What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide?

The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1nc2scc(-c3ccccc3OC)n2n1.

What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide?

The InChIKey is GMFDQDWNJXWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c1-30-18-6-4-3-5-14(18)16-12-32-22-25-21(26-27(16)22)24-20(29)10-8-17(28)15-11-13(23)7-9-19(15)31-2/h3-7,9,11-12H,8,10H2,1-2H3,(H,24,26,29).

What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide?

4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide has a molecular weight of 470.94 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 108728824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).