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

C12H13N3O3S — CID 43441842

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

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441842) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 43441842
• Molecular Formula: C12H13N3O3S
• Molecular Weight: 279.32 g/mol
• Exact Mass: 279.07
• IUPAC Name: 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid
• SMILES: O=C(O)C1CCCN1Cc1cc(=O)n2ccsc2n1
• InChI: InChI=1S/C12H13N3O3S/c16-10-6-8(13-12-15(10)4-5-19-12)7-14-3-1-2-9(14)11(17)18/h4-6,9H,1-3,7H2,(H,17,18)
• InChIKey: FUNJUTLCQLMIGP-UHFFFAOYSA-N
• XLogP: 0.81
• TPSA: 74.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.32
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43441842) is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid.

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

The canonical SMILES for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1cc(=O)n2ccsc2n1.

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

The InChIKey is FUNJUTLCQLMIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-10-6-8(13-12-15(10)4-5-19-12)7-14-3-1-2-9(14)11(17)18/h4-6,9H,1-3,7H2,(H,17,18).

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

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).