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

C17H23N3O4S — CID 16868038

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

ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate (PubChem CID 16868038) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
• PubChem CID: 16868038
• Molecular Formula: C17H23N3O4S
• Molecular Weight: 365.46 g/mol
• Exact Mass: 365.14
• IUPAC Name: ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
• SMILES: CCOC(=O)C1CCCN(C(=O)CC2CSc3ncc(C)c(=O)n32)C1
• InChI: InChI=1S/C17H23N3O4S/c1-3-24-16(23)12-5-4-6-19(9-12)14(21)7-13-10-25-17-18-8-11(2)15(22)20(13)17/h8,12-13H,3-7,9-10H2,1-2H3
• InChIKey: YLJSWWDNLKJZQM-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 81.50 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.46
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate (CID 16868038) is ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate.

What is the SMILES notation for ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?

The canonical SMILES for ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC2CSc3ncc(C)c(=O)n32)C1.

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

The InChIKey is YLJSWWDNLKJZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-3-24-16(23)12-5-4-6-19(9-12)14(21)7-13-10-25-17-18-8-11(2)15(22)20(13)17/h8,12-13H,3-7,9-10H2,1-2H3.

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

ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 365.46 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 16868038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).