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

C13H15N3O3S — CID 43441898

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

1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441898) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 43441898
• Molecular Formula: C13H15N3O3S
• Molecular Weight: 293.35 g/mol
• Exact Mass: 293.08
• IUPAC Name: 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid
• SMILES: Cc1csc2nc(CN3CCCC3C(=O)O)cc(=O)n12
• InChI: InChI=1S/C13H15N3O3S/c1-8-7-20-13-14-9(5-11(17)16(8)13)6-15-4-2-3-10(15)12(18)19/h5,7,10H,2-4,6H2,1H3,(H,18,19)
• InChIKey: OJRUZPXOGYZAOW-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 74.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.35
LogP ≤ 5	1.11
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]pyrrolidine-2-carboxylic acid?

The IUPAC name of 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43441898) is 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid.

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

The canonical SMILES for 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid is Cc1csc2nc(CN3CCCC3C(=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]pyrrolidine-2-carboxylic acid?

The InChIKey is OJRUZPXOGYZAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-7-20-13-14-9(5-11(17)16(8)13)6-15-4-2-3-10(15)12(18)19/h5,7,10H,2-4,6H2,1H3,(H,18,19).

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

1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.11, 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]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).