5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C23H24N4OS — CID 5055870

About 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 5055870) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 5055870
• Molecular Formula: C23H24N4OS
• Molecular Weight: 404.54 g/mol
• Exact Mass: 404.17
• IUPAC Name: 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: Cc1nc2sc(C(c3ccc(C(C)C)cc3)N3CCc4ccccc43)c(O)n2n1
• InChI: InChI=1S/C23H24N4OS/c1-14(2)16-8-10-18(11-9-16)20(26-13-12-17-6-4-5-7-19(17)26)21-22(28)27-23(29-21)24-15(3)25-27/h4-11,14,20,28H,12-13H2,1-3H3
• InChIKey: HKWQHTVOYHPYKZ-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 53.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.54
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The IUPAC name of 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 5055870) is 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

What is the SMILES notation for 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The canonical SMILES for 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccc(C(C)C)cc3)N3CCc4ccccc43)c(O)n2n1.

What is the InChIKey of 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The InChIKey is HKWQHTVOYHPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-14(2)16-8-10-18(11-9-16)20(26-13-12-17-6-4-5-7-19(17)26)21-22(28)27-23(29-21)24-15(3)25-27/h4-11,14,20,28H,12-13H2,1-3H3.

What are the key properties of 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 404.54 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,3-dihydroindol-1-yl-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 5055870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).