[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate

C19H22ClN3O5S — CID 55449679

About [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 55449679) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 55449679
• Molecular Formula: C19H22ClN3O5S
• Molecular Weight: 439.92 g/mol
• Exact Mass: 439.10
• IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)OC(C)C(=O)NC(=O)NC(C)C
• InChI: InChI=1S/C19H22ClN3O5S/c1-10(2)21-19(26)23-17(24)12(4)28-18(25)16-11(3)22-15(29-16)9-27-14-7-5-13(20)6-8-14/h5-8,10,12H,9H2,1-4H3,(H2,21,23,24,26)
• InChIKey: NPMRZGLZYFYFHR-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 106.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.92
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 55449679) is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)OC(C)C(=O)NC(=O)NC(C)C.

What is the InChIKey of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is NPMRZGLZYFYFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-10(2)21-19(26)23-17(24)12(4)28-18(25)16-11(3)22-15(29-16)9-27-14-7-5-13(20)6-8-14/h5-8,10,12H,9H2,1-4H3,(H2,21,23,24,26).

What are the key properties of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate?

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 439.92 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55449679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).