[1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate

C23H20N4O4S — CID 23972060

About [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate

[1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate (PubChem CID 23972060) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

• Compound Name: [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
• PubChem CID: 23972060
• Molecular Formula: C23H20N4O4S
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.12
• IUPAC Name: [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
• SMILES: COc1ccccc1-c1csc(NC(=O)C(C)OC(=O)c2ccc(-c3ncc[nH]3)cc2)n1
• InChI: InChI=1S/C23H20N4O4S/c1-14(31-22(29)16-9-7-15(8-10-16)20-24-11-12-25-20)21(28)27-23-26-18(13-32-23)17-5-3-4-6-19(17)30-2/h3-14H,1-2H3,(H,24,25)(H,26,27,28)
• InChIKey: LFWMHVMQTRRLDN-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate?

The IUPAC name of [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate (CID 23972060) is [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate.

What is the SMILES notation for [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate?

The canonical SMILES for [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate is COc1ccccc1-c1csc(NC(=O)C(C)OC(=O)c2ccc(-c3ncc[nH]3)cc2)n1.

What is the InChIKey of [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate?

The InChIKey is LFWMHVMQTRRLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-14(31-22(29)16-9-7-15(8-10-16)20-24-11-12-25-20)21(28)27-23-26-18(13-32-23)17-5-3-4-6-19(17)30-2/h3-14H,1-2H3,(H,24,25)(H,26,27,28).

What are the key properties of [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate?

[1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 448.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 23972060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).