ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate

C17H24N4O3S — CID 56906844

About ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate

ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate (PubChem CID 56906844) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate
• PubChem CID: 56906844
• Molecular Formula: C17H24N4O3S
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.16
• IUPAC Name: ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate
• SMILES: CCOC(=O)CC1CCCCN1Cc1cc(=O)n2nc(CC)sc2n1
• InChI: InChI=1S/C17H24N4O3S/c1-3-14-19-21-15(22)9-12(18-17(21)25-14)11-20-8-6-5-7-13(20)10-16(23)24-4-2/h9,13H,3-8,10-11H2,1-2H3
• InChIKey: WBTLAMYRNPUEEK-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 76.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate?

The IUPAC name of ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate (CID 56906844) is ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate.

What is the SMILES notation for ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate?

The canonical SMILES for ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1Cc1cc(=O)n2nc(CC)sc2n1.

What is the InChIKey of ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate?

The InChIKey is WBTLAMYRNPUEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-14-19-21-15(22)9-12(18-17(21)25-14)11-20-8-6-5-7-13(20)10-16(23)24-4-2/h9,13H,3-8,10-11H2,1-2H3.

What are the key properties of ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate?

ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate has a molecular weight of 364.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 56906844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).