1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid

C14H18N4O3S — CID 53212889

About 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid

1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 53212889) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid
• PubChem CID: 53212889
• Molecular Formula: C14H18N4O3S
• Molecular Weight: 322.39 g/mol
• Exact Mass: 322.11
• IUPAC Name: 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid
• SMILES: CC(C)c1cc(=O)n2nc(N3CCCC(C(=O)O)C3)sc2n1
• InChI: InChI=1S/C14H18N4O3S/c1-8(2)10-6-11(19)18-13(15-10)22-14(16-18)17-5-3-4-9(7-17)12(20)21/h6,8-9H,3-5,7H2,1-2H3,(H,20,21)
• InChIKey: USILQENQRMDGIU-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 87.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.39
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid?

The IUPAC name of 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid (CID 53212889) is 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid.

What is the SMILES notation for 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid?

The canonical SMILES for 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid is CC(C)c1cc(=O)n2nc(N3CCCC(C(=O)O)C3)sc2n1.

What is the InChIKey of 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid?

The InChIKey is USILQENQRMDGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-8(2)10-6-11(19)18-13(15-10)22-14(16-18)17-5-3-4-9(7-17)12(20)21/h6,8-9H,3-5,7H2,1-2H3,(H,20,21).

What are the key properties of 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid?

1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 322.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-oxo-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 53212889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).