6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H27N5O3S — CID 24611086

About 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24611086) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24611086
• Molecular Formula: C24H27N5O3S
• Molecular Weight: 465.58 g/mol
• Exact Mass: 465.18
• IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)c3c(C)noc3n2)c(C)o1
• InChI: InChI=1S/C24H27N5O3S/c1-13-5-7-29(8-6-13)11-17-12-33-24(25-17)27-22(30)19-10-20(18-9-14(2)31-16(18)4)26-23-21(19)15(3)28-32-23/h9-10,12-13H,5-8,11H2,1-4H3,(H,25,27,30)
• InChIKey: SKSCPIQWBMHPAE-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 97.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.58
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24611086) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)c3c(C)noc3n2)c(C)o1.

What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is SKSCPIQWBMHPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-13-5-7-29(8-6-13)11-17-12-33-24(25-17)27-22(30)19-10-20(18-9-14(2)31-16(18)4)26-23-21(19)15(3)28-32-23/h9-10,12-13H,5-8,11H2,1-4H3,(H,25,27,30).

What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24611086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).