6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C24H22N6S — CID 108772329

About 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772329) has the molecular formula C24H22N6S and a molecular weight of 426.55 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

• Compound Name: 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
• PubChem CID: 108772329
• Molecular Formula: C24H22N6S
• Molecular Weight: 426.55 g/mol
• Exact Mass: 426.16
• IUPAC Name: 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
• SMILES: Cc1ccc(-c2cc(Nc3nc4scc(-c5ccc(C)cc5C)n4n3)nc(C)n2)cc1
• InChI: InChI=1S/C24H22N6S/c1-14-5-8-18(9-6-14)20-12-22(26-17(4)25-20)27-23-28-24-30(29-23)21(13-31-24)19-10-7-15(2)11-16(19)3/h5-13H,1-4H3,(H,25,26,27,29)
• InChIKey: IVXGKNMSHMJGCT-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 68.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.55
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?

The IUPAC name of 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772329) is 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

What is the SMILES notation for 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?

The canonical SMILES for 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is Cc1ccc(-c2cc(Nc3nc4scc(-c5ccc(C)cc5C)n4n3)nc(C)n2)cc1.

What is the InChIKey of 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?

The InChIKey is IVXGKNMSHMJGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6S/c1-14-5-8-18(9-6-14)20-12-22(26-17(4)25-20)27-23-28-24-30(29-23)21(13-31-24)19-10-7-15(2)11-16(19)3/h5-13H,1-4H3,(H,25,26,27,29).

What are the key properties of 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?

6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 426.55 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).