2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

C19H24N6O2S — CID 90546173

About 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 90546173) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
• PubChem CID: 90546173
• Molecular Formula: C19H24N6O2S
• Molecular Weight: 400.51 g/mol
• Exact Mass: 400.17
• IUPAC Name: 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
• SMILES: Cc1cnc2n(c1=O)C(CC(=O)Nc1cc(N3CCC(C)CC3)ncn1)CS2
• InChI: InChI=1S/C19H24N6O2S/c1-12-3-5-24(6-4-12)16-8-15(21-11-22-16)23-17(26)7-14-10-28-19-20-9-13(2)18(27)25(14)19/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,21,22,23,26)
• InChIKey: HGCVIVDPOSODHL-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.51
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?

The IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (CID 90546173) is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.

What is the SMILES notation for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?

The canonical SMILES for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is Cc1cnc2n(c1=O)C(CC(=O)Nc1cc(N3CCC(C)CC3)ncn1)CS2.

What is the InChIKey of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?

The InChIKey is HGCVIVDPOSODHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-12-3-5-24(6-4-12)16-8-15(21-11-22-16)23-17(26)7-14-10-28-19-20-9-13(2)18(27)25(14)19/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,21,22,23,26).

What are the key properties of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?

2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 400.51 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 90546173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).