ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate

C20H27N5O4S — CID 20892933

About ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 20892933) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
• PubChem CID: 20892933
• Molecular Formula: C20H27N5O4S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.18
• IUPAC Name: ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN(C(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)CC1
• InChI: InChI=1S/C20H27N5O4S/c1-3-29-18(28)15-6-8-23(9-7-15)17(27)14-4-10-24(11-5-14)20-22-25-16(26)12-13(2)21-19(25)30-20/h12,14-15H,3-11H2,1-2H3
• InChIKey: QBYRJZHTQSNZOC-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 97.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate (CID 20892933) is ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)CC1.

What is the InChIKey of ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate?

The InChIKey is QBYRJZHTQSNZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-3-29-18(28)15-6-8-23(9-7-15)17(27)14-4-10-24(11-5-14)20-22-25-16(26)12-13(2)21-19(25)30-20/h12,14-15H,3-11H2,1-2H3.

What are the key properties of ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate?

ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 433.53 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 20892933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).