ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate

C12H15N3O4S — CID 16867751

About ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate

ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (PubChem CID 16867751) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
• PubChem CID: 16867751
• Molecular Formula: C12H15N3O4S
• Molecular Weight: 297.34 g/mol
• Exact Mass: 297.08
• IUPAC Name: ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
• SMILES: CCOC(=O)CNC(=O)CC1CSc2nccc(=O)n21
• InChI: InChI=1S/C12H15N3O4S/c1-2-19-11(18)6-14-9(16)5-8-7-20-12-13-4-3-10(17)15(8)12/h3-4,8H,2,5-7H2,1H3,(H,14,16)
• InChIKey: LDKPZYJENHTSRI-UHFFFAOYSA-N
• XLogP: -0.04
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.34
LogP ≤ 5	-0.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?

The IUPAC name of ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (CID 16867751) is ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate.

What is the SMILES notation for ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?

The canonical SMILES for ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)CC1CSc2nccc(=O)n21.

What is the InChIKey of ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?

The InChIKey is LDKPZYJENHTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-2-19-11(18)6-14-9(16)5-8-7-20-12-13-4-3-10(17)15(8)12/h3-4,8H,2,5-7H2,1H3,(H,14,16).

What are the key properties of ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?

ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate has a molecular weight of 297.34 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 16867751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).