2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide

C16H18N4O2S — CID 16868544

About 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide

2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide (PubChem CID 16868544) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide
• PubChem CID: 16868544
• Molecular Formula: C16H18N4O2S
• Molecular Weight: 330.41 g/mol
• Exact Mass: 330.12
• IUPAC Name: 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide
• SMILES: CCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cccnc1
• InChI: InChI=1S/C16H18N4O2S/c1-2-4-11-7-15(22)20-13(10-23-16(20)19-11)8-14(21)18-12-5-3-6-17-9-12/h3,5-7,9,13H,2,4,8,10H2,1H3,(H,18,21)
• InChIKey: HJPNVZXLRXQQIC-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.41
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide?

The IUPAC name of 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide (CID 16868544) is 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide.

What is the SMILES notation for 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide?

The canonical SMILES for 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide is CCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cccnc1.

What is the InChIKey of 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide?

The InChIKey is HJPNVZXLRXQQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-2-4-11-7-15(22)20-13(10-23-16(20)19-11)8-14(21)18-12-5-3-6-17-9-12/h3,5-7,9,13H,2,4,8,10H2,1H3,(H,18,21).

What are the key properties of 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide?

2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide has a molecular weight of 330.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 16868544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).