5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide

C22H23N3O5S — CID 130474004

About 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide

5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 130474004) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 130474004
• Molecular Formula: C22H23N3O5S
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.14
• IUPAC Name: 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
• SMILES: CC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)c(C(O)C3CCOCC3)s2)cnc1C
• InChI: InChI=1S/C22H23N3O5S/c1-12-16(13(2)26)10-15(11-23-12)21(28)25-22-24-18(17-4-3-7-30-17)20(31-22)19(27)14-5-8-29-9-6-14/h3-4,7,10-11,14,19,27H,5-6,8-9H2,1-2H3,(H,24,25,28)
• InChIKey: YAXMKAXHMNMYRK-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 114.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 130474004) is 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is CC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)c(C(O)C3CCOCC3)s2)cnc1C.

What is the InChIKey of 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is YAXMKAXHMNMYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-12-16(13(2)26)10-15(11-23-12)21(28)25-22-24-18(17-4-3-7-30-17)20(31-22)19(27)14-5-8-29-9-6-14/h3-4,7,10-11,14,19,27H,5-6,8-9H2,1-2H3,(H,24,25,28).

What are the key properties of 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?

5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 130474004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).