methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate

C13H15N3O4S — CID 43410153

About methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43410153) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
• PubChem CID: 43410153
• Molecular Formula: C13H15N3O4S
• Molecular Weight: 309.35 g/mol
• Exact Mass: 309.08
• IUPAC Name: methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
• SMILES: COC(=O)C1CCCN1C(=O)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C13H15N3O4S/c1-20-12(19)9-3-2-4-15(9)10(17)8-7-14-13-16(11(8)18)5-6-21-13/h7,9H,2-6H2,1H3
• InChIKey: OICXCWPAWXGJRH-UHFFFAOYSA-N
• XLogP: 0.13
• TPSA: 81.50 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.35
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate (CID 43410153) is methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate.

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

The canonical SMILES for methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cnc2n(c1=O)CCS2.

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

The InChIKey is OICXCWPAWXGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-20-12(19)9-3-2-4-15(9)10(17)8-7-14-13-16(11(8)18)5-6-21-13/h7,9H,2-6H2,1H3.

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

methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 309.35 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).