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

C19H24N4O3S — CID 7475514

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

5-[(R)-(2,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7475514) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-[(R)-(2,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(R)-(2,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 7475514
• Molecular Formula: C19H24N4O3S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.16
• IUPAC Name: 5-[(R)-(2,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCCCC2)c(OC)c1
• InChI: InChI=1S/C19H24N4O3S/c1-12-20-19-23(21-12)18(24)17(27-19)16(22-9-5-4-6-10-22)14-8-7-13(25-2)11-15(14)26-3/h7-8,11,16,24H,4-6,9-10H2,1-3H3/t16-/m1/s1
• InChIKey: DBRQSSCSJMLVLC-MRXNPFEDSA-N
• XLogP: 3.40
• TPSA: 72.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(R)-(2,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7475514) is 5-[(R)-(2,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 5-[(R)-(2,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCCCC2)c(OC)c1.

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

The InChIKey is DBRQSSCSJMLVLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-12-20-19-23(21-12)18(24)17(27-19)16(22-9-5-4-6-10-22)14-8-7-13(25-2)11-15(14)26-3/h7-8,11,16,24H,4-6,9-10H2,1-3H3/t16-/m1/s1.

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

5-[(R)-(2,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 388.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(R)-(2,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7475514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).