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

C15H19N3O3S — CID 92849163

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

methyl (2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (PubChem CID 92849163) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is methyl (2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

• Compound Name: methyl (2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
• PubChem CID: 92849163
• Molecular Formula: C15H19N3O3S
• Molecular Weight: 321.40 g/mol
• Exact Mass: 321.11
• IUPAC Name: methyl (2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
• SMILES: COC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2c(C)csc2n1
• InChI: InChI=1S/C15H19N3O3S/c1-10-9-22-15-16-11(7-13(19)18(10)15)8-17-6-4-3-5-12(17)14(20)21-2/h7,9,12H,3-6,8H2,1-2H3/t12-/m0/s1
• InChIKey: HTXPRKYLZDJLAH-LBPRGKRZSA-N
• XLogP: 1.59
• TPSA: 63.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.40
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl (2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (CID 92849163) is methyl (2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.

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

The canonical SMILES for methyl (2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2c(C)csc2n1.

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

The InChIKey is HTXPRKYLZDJLAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-9-22-15-16-11(7-13(19)18(10)15)8-17-6-4-3-5-12(17)14(20)21-2/h7,9,12H,3-6,8H2,1-2H3/t12-/m0/s1.

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

methyl (2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate has a molecular weight of 321.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 92849163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).