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

C14H17N3O3S — CID 60597235

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

methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 60597235) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate
• PubChem CID: 60597235
• Molecular Formula: C14H17N3O3S
• Molecular Weight: 307.38 g/mol
• Exact Mass: 307.10
• IUPAC Name: methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate
• SMILES: COC(=O)C1CCCN1Cc1cc(=O)n2c(C)csc2n1
• InChI: InChI=1S/C14H17N3O3S/c1-9-8-21-14-15-10(6-12(18)17(9)14)7-16-5-3-4-11(16)13(19)20-2/h6,8,11H,3-5,7H2,1-2H3
• InChIKey: YIHOGJWGJQXMMJ-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 63.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.38
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate (CID 60597235) is methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate.

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

The canonical SMILES for methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1cc(=O)n2c(C)csc2n1.

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

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

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

methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 307.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 60597235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).