2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C19H21N5O3S — CID 11956881

About 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 11956881) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
• PubChem CID: 11956881
• Molecular Formula: C19H21N5O3S
• Molecular Weight: 399.48 g/mol
• Exact Mass: 399.14
• IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
• SMILES: Cc1ccc(-c2nc(NC(=O)CN3CCC(O)CC3)cc(-c3nccs3)n2)o1
• InChI: InChI=1S/C19H21N5O3S/c1-12-2-3-15(27-12)18-21-14(19-20-6-9-28-19)10-16(23-18)22-17(26)11-24-7-4-13(25)5-8-24/h2-3,6,9-10,13,25H,4-5,7-8,11H2,1H3,(H,21,22,23,26)
• InChIKey: YJNVDIGTLYMQFV-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.48
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?

The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 11956881) is 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?

The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is Cc1ccc(-c2nc(NC(=O)CN3CCC(O)CC3)cc(-c3nccs3)n2)o1.

What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?

The InChIKey is YJNVDIGTLYMQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-12-2-3-15(27-12)18-21-14(19-20-6-9-28-19)10-16(23-18)22-17(26)11-24-7-4-13(25)5-8-24/h2-3,6,9-10,13,25H,4-5,7-8,11H2,1H3,(H,21,22,23,26).

What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?

2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 399.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 11956881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).