ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate

C19H27N3O4S — CID 16868402

About ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate (PubChem CID 16868402) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
• PubChem CID: 16868402
• Molecular Formula: C19H27N3O4S
• Molecular Weight: 393.51 g/mol
• Exact Mass: 393.17
• IUPAC Name: ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
• SMILES: CCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCC(C(=O)OCC)CC1
• InChI: InChI=1S/C19H27N3O4S/c1-3-5-14-10-17(24)22-15(12-27-19(22)20-14)11-16(23)21-8-6-13(7-9-21)18(25)26-4-2/h10,13,15H,3-9,11-12H2,1-2H3
• InChIKey: ZFCVUZLWKFSVSN-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 81.50 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.51
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate (CID 16868402) is ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate is CCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCC(C(=O)OCC)CC1.

What is the InChIKey of ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?

The InChIKey is ZFCVUZLWKFSVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-3-5-14-10-17(24)22-15(12-27-19(22)20-14)11-16(23)21-8-6-13(7-9-21)18(25)26-4-2/h10,13,15H,3-9,11-12H2,1-2H3.

What are the key properties of ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?

ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 393.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 16868402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).