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

C16H20N4O3S — CID 95768001

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

1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 95768001) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• PubChem CID: 95768001
• Molecular Formula: C16H20N4O3S
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.13
• IUPAC Name: 1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• SMILES: CCc1csc([C@H]2CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)n1
• InChI: InChI=1S/C16H20N4O3S/c1-2-12-10-24-15(17-12)11-4-3-6-19(8-11)14(22)9-20-7-5-13(21)18-16(20)23/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,18,21,23)/t11-/m0/s1
• InChIKey: FFNNMTJLILYGCY-NSHDSACASA-N
• XLogP: 0.96
• TPSA: 88.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 95768001) is 1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

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

The canonical SMILES for 1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is CCc1csc([C@H]2CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)n1.

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

The InChIKey is FFNNMTJLILYGCY-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-12-10-24-15(17-12)11-4-3-6-19(8-11)14(22)9-20-7-5-13(21)18-16(20)23/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,18,21,23)/t11-/m0/s1.

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

1-[2-[(3S)-3-(4-ethyl-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 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 95768001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).