ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate

C16H21N3O3S — CID 47010875

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

ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (PubChem CID 47010875) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
• PubChem CID: 47010875
• Molecular Formula: C16H21N3O3S
• Molecular Weight: 335.43 g/mol
• Exact Mass: 335.13
• IUPAC Name: ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
• SMILES: CCOC(=O)C1CCCCN1Cc1cc(=O)n2c(C)csc2n1
• InChI: InChI=1S/C16H21N3O3S/c1-3-22-15(21)13-6-4-5-7-18(13)9-12-8-14(20)19-11(2)10-23-16(19)17-12/h8,10,13H,3-7,9H2,1-2H3
• InChIKey: YMDOGCDRKQQUJM-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 63.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.43
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (CID 47010875) is ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.

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

The canonical SMILES for ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1cc(=O)n2c(C)csc2n1.

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

The InChIKey is YMDOGCDRKQQUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-22-15(21)13-6-4-5-7-18(13)9-12-8-14(20)19-11(2)10-23-16(19)17-12/h8,10,13H,3-7,9H2,1-2H3.

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

ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 47010875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).