methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate

C12H11N3O4S2 — CID 10853500

About methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate

methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 10853500) has the molecular formula C12H11N3O4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

• Compound Name: methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate
• PubChem CID: 10853500
• Molecular Formula: C12H11N3O4S2
• Molecular Weight: 325.37 g/mol
• Exact Mass: 325.02
• IUPAC Name: methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate
• SMILES: COC(=O)[C@@H]1CSCN1C(=O)c1cnc2sccn2c1=O
• InChI: InChI=1S/C12H11N3O4S2/c1-19-11(18)8-5-20-6-15(8)10(17)7-4-13-12-14(9(7)16)2-3-21-12/h2-4,8H,5-6H2,1H3/t8-/m0/s1
• InChIKey: WISXNGVFADWVKL-QMMMGPOBSA-N
• XLogP: 0.44
• TPSA: 80.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.37
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate?

The IUPAC name of methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate (CID 10853500) is methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate.

What is the SMILES notation for methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate?

The canonical SMILES for methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSCN1C(=O)c1cnc2sccn2c1=O.

What is the InChIKey of methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate?

The InChIKey is WISXNGVFADWVKL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11N3O4S2/c1-19-11(18)8-5-20-6-15(8)10(17)7-4-13-12-14(9(7)16)2-3-21-12/h2-4,8H,5-6H2,1H3/t8-/m0/s1.

What are the key properties of methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate?

methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 10853500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).