4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C21H24N4O3S — CID 18164209

About 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 18164209) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 18164209
• Molecular Formula: C21H24N4O3S
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.16
• IUPAC Name: 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(C(CNC(=O)c2sc(-c3ccccn3)nc2C)N2CCOCC2)o1
• InChI: InChI=1S/C21H24N4O3S/c1-14-6-7-18(28-14)17(25-9-11-27-12-10-25)13-23-20(26)19-15(2)24-21(29-19)16-5-3-4-8-22-16/h3-8,17H,9-13H2,1-2H3,(H,23,26)
• InChIKey: LHFHYDAMGZJGOI-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 18164209) is 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1ccc(C(CNC(=O)c2sc(-c3ccccn3)nc2C)N2CCOCC2)o1.

What is the InChIKey of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is LHFHYDAMGZJGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-6-7-18(28-14)17(25-9-11-27-12-10-25)13-23-20(26)19-15(2)24-21(29-19)16-5-3-4-8-22-16/h3-8,17H,9-13H2,1-2H3,(H,23,26).

What are the key properties of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18164209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).