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

C14H17N3O3S — CID 43441238

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

1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 43441238) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid
• PubChem CID: 43441238
• Molecular Formula: C14H17N3O3S
• Molecular Weight: 307.38 g/mol
• Exact Mass: 307.10
• IUPAC Name: 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid
• SMILES: Cc1csc2nc(CN3CCCCC3C(=O)O)cc(=O)n12
• InChI: InChI=1S/C14H17N3O3S/c1-9-8-21-14-15-10(6-12(18)17(9)14)7-16-5-3-2-4-11(16)13(19)20/h6,8,11H,2-5,7H2,1H3,(H,19,20)
• InChIKey: KTBZNUHXVGANEH-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 74.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.38
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid (CID 43441238) is 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid.

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

The canonical SMILES for 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid is Cc1csc2nc(CN3CCCCC3C(=O)O)cc(=O)n12.

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

The InChIKey is KTBZNUHXVGANEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-8-21-14-15-10(6-12(18)17(9)14)7-16-5-3-2-4-11(16)13(19)20/h6,8,11H,2-5,7H2,1H3,(H,19,20).

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

1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).