3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C19H16N4O2S — CID 1388029

About 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1388029) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

• Compound Name: 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
• PubChem CID: 1388029
• Molecular Formula: C19H16N4O2S
• Molecular Weight: 364.43 g/mol
• Exact Mass: 364.10
• IUPAC Name: 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
• SMILES: CC(=O)c1ccc(N2CN=c3sc(=Cc4ccncc4)c(=O)n3C2)cc1
• InChI: InChI=1S/C19H16N4O2S/c1-13(24)15-2-4-16(5-3-15)22-11-21-19-23(12-22)18(25)17(26-19)10-14-6-8-20-9-7-14/h2-10H,11-12H2,1H3
• InChIKey: VLXVKESLGUTVND-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 67.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?

The IUPAC name of 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1388029) is 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

What is the SMILES notation for 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?

The canonical SMILES for 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is CC(=O)c1ccc(N2CN=c3sc(=Cc4ccncc4)c(=O)n3C2)cc1.

What is the InChIKey of 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?

The InChIKey is VLXVKESLGUTVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13(24)15-2-4-16(5-3-15)22-11-21-19-23(12-22)18(25)17(26-19)10-14-6-8-20-9-7-14/h2-10H,11-12H2,1H3.

What are the key properties of 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?

3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 364.43 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-acetylphenyl)-7-(pyridin-4-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1388029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).