ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

C24H28N6O5S — CID 23961615

About ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (PubChem CID 23961615) has the molecular formula C24H28N6O5S and a molecular weight of 512.59 g/mol. Its IUPAC name is ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
• PubChem CID: 23961615
• Molecular Formula: C24H28N6O5S
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.18
• IUPAC Name: ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
• SMILES: CCOC(=O)c1cc(-c2csc(C3CCN(C(=O)CCC(=O)Nc4ncc(C)nc4C)CC3)n2)on1
• InChI: InChI=1S/C24H28N6O5S/c1-4-34-24(33)17-11-19(35-29-17)18-13-36-23(27-18)16-7-9-30(10-8-16)21(32)6-5-20(31)28-22-15(3)26-14(2)12-25-22/h11-13,16H,4-10H2,1-3H3,(H,25,28,31)
• InChIKey: MCKAIORNSDQXDL-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 140.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?

The IUPAC name of ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (CID 23961615) is ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.

What is the SMILES notation for ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?

The canonical SMILES for ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2csc(C3CCN(C(=O)CCC(=O)Nc4ncc(C)nc4C)CC3)n2)on1.

What is the InChIKey of ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?

The InChIKey is MCKAIORNSDQXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O5S/c1-4-34-24(33)17-11-19(35-29-17)18-13-36-23(27-18)16-7-9-30(10-8-16)21(32)6-5-20(31)28-22-15(3)26-14(2)12-25-22/h11-13,16H,4-10H2,1-3H3,(H,25,28,31).

What are the key properties of ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?

ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 512.59 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[2-[1-[4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 23961615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).