N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide

C23H31N3O5S — CID 23144713

About N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide (PubChem CID 23144713) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide
• PubChem CID: 23144713
• Molecular Formula: C23H31N3O5S
• Molecular Weight: 461.58 g/mol
• Exact Mass: 461.20
• IUPAC Name: N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide
• SMILES: CC(C)(O)C1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)CC1
• InChI: InChI=1S/C23H31N3O5S/c1-23(2,29)16-5-9-26(10-6-16)14-18(27)24-22-25-19(17-4-3-11-31-17)21(32-22)20(28)15-7-12-30-13-8-15/h3-4,11,15-16,29H,5-10,12-14H2,1-2H3,(H,24,25,27)
• InChIKey: OGSVVFVBPGKGJK-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 104.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.58
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide?

The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide (CID 23144713) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide?

The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide is CC(C)(O)C1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)CC1.

What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide?

The InChIKey is OGSVVFVBPGKGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-23(2,29)16-5-9-26(10-6-16)14-18(27)24-22-25-19(17-4-3-11-31-17)21(32-22)20(28)15-7-12-30-13-8-15/h3-4,11,15-16,29H,5-10,12-14H2,1-2H3,(H,24,25,27).

What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide?

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide has a molecular weight of 461.58 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 23144713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).