ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate

C13H17N3O4S — CID 16868071

About ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate

ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (PubChem CID 16868071) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
• PubChem CID: 16868071
• Molecular Formula: C13H17N3O4S
• Molecular Weight: 311.36 g/mol
• Exact Mass: 311.09
• IUPAC Name: ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
• SMILES: CCOC(=O)CNC(=O)CC1CSc2ncc(C)c(=O)n21
• InChI: InChI=1S/C13H17N3O4S/c1-3-20-11(18)6-14-10(17)4-9-7-21-13-15-5-8(2)12(19)16(9)13/h5,9H,3-4,6-7H2,1-2H3,(H,14,17)
• InChIKey: LXRDFBISHHAMCW-UHFFFAOYSA-N
• XLogP: 0.27
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.36
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?

The IUPAC name of ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (CID 16868071) is ethyl 2-[[2-(6-methyl-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-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?

The canonical SMILES for ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)CC1CSc2ncc(C)c(=O)n21.

What is the InChIKey of ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?

The InChIKey is LXRDFBISHHAMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-3-20-11(18)6-14-10(17)4-9-7-21-13-15-5-8(2)12(19)16(9)13/h5,9H,3-4,6-7H2,1-2H3,(H,14,17).

What are the key properties of ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?

ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate has a molecular weight of 311.36 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 16868071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).