[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

C24H19N3O4S — CID 55406141

About [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 55406141) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
• PubChem CID: 55406141
• Molecular Formula: C24H19N3O4S
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.11
• IUPAC Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
• SMILES: Cc1nc(-c2ccccn2)sc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1
• InChI: InChI=1S/C24H19N3O4S/c1-16-22(32-23(26-16)20-9-5-6-14-25-20)24(29)30-15-21(28)27-17-10-12-19(13-11-17)31-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,27,28)
• InChIKey: UGYOWNHOOHVZJP-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 90.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?

The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (CID 55406141) is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?

The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccn2)sc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1.

What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?

The InChIKey is UGYOWNHOOHVZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S/c1-16-22(32-23(26-16)20-9-5-6-14-25-20)24(29)30-15-21(28)27-17-10-12-19(13-11-17)31-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,27,28).

What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 445.50 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55406141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).