2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid

C20H20N2O4S — CID 119233508

About 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid

2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid (PubChem CID 119233508) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
• PubChem CID: 119233508
• Molecular Formula: C20H20N2O4S
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.11
• IUPAC Name: 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
• SMILES: Cc1ccc(-c2nc(C)c(C(=O)NCC(Cc3ccccc3)C(=O)O)s2)o1
• InChI: InChI=1S/C20H20N2O4S/c1-12-8-9-16(26-12)19-22-13(2)17(27-19)18(23)21-11-15(20(24)25)10-14-6-4-3-5-7-14/h3-9,15H,10-11H2,1-2H3,(H,21,23)(H,24,25)
• InChIKey: GUBZMZXWGZMEPT-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 92.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?

The IUPAC name of 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid (CID 119233508) is 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid.

What is the SMILES notation for 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?

The canonical SMILES for 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid is Cc1ccc(-c2nc(C)c(C(=O)NCC(Cc3ccccc3)C(=O)O)s2)o1.

What is the InChIKey of 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?

The InChIKey is GUBZMZXWGZMEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-12-8-9-16(26-12)19-22-13(2)17(27-19)18(23)21-11-15(20(24)25)10-14-6-4-3-5-7-14/h3-9,15H,10-11H2,1-2H3,(H,21,23)(H,24,25).

What are the key properties of 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?

2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid has a molecular weight of 384.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119233508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).