3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C16H20N4O3S — CID 95779140

About 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 95779140) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• PubChem CID: 95779140
• Molecular Formula: C16H20N4O3S
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.13
• IUPAC Name: 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• SMILES: Cc1csc([C@@H]2CCCN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)n1
• InChI: InChI=1S/C16H20N4O3S/c1-11-10-24-15(17-11)12-4-3-6-19(8-12)14(22)9-20-7-5-13(21)18(2)16(20)23/h5,7,10,12H,3-4,6,8-9H2,1-2H3/t12-/m1/s1
• InChIKey: FFLZLGXHEQTBDM-GFCCVEGCSA-N
• XLogP: 0.72
• TPSA: 77.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The IUPAC name of 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 95779140) is 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The canonical SMILES for 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is Cc1csc([C@@H]2CCCN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)n1.

What is the InChIKey of 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The InChIKey is FFLZLGXHEQTBDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-10-24-15(17-11)12-4-3-6-19(8-12)14(22)9-20-7-5-13(21)18(2)16(20)23/h5,7,10,12H,3-4,6,8-9H2,1-2H3/t12-/m1/s1.

What are the key properties of 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 348.43 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 95779140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).