5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C18H24N4O3S — CID 110381652

About 5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110381652) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 110381652
• Molecular Formula: C18H24N4O3S
• Molecular Weight: 376.48 g/mol
• Exact Mass: 376.16
• IUPAC Name: 5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: CCN(CC)C(c1cccc(OC)c1OC)c1sc2nc(C)nn2c1O
• InChI: InChI=1S/C18H24N4O3S/c1-6-21(7-2)14(12-9-8-10-13(24-4)15(12)25-5)16-17(23)22-18(26-16)19-11(3)20-22/h8-10,14,23H,6-7H2,1-5H3
• InChIKey: ATPCMSDTYIQSBJ-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 72.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.48
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110381652) is 5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCN(CC)C(c1cccc(OC)c1OC)c1sc2nc(C)nn2c1O.

What is the InChIKey of 5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The InChIKey is ATPCMSDTYIQSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-6-21(7-2)14(12-9-8-10-13(24-4)15(12)25-5)16-17(23)22-18(26-16)19-11(3)20-22/h8-10,14,23H,6-7H2,1-5H3.

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

5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 376.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110381652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).