2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide

C21H23ClN2O2S — CID 55857637

About 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 55857637) has the molecular formula C21H23ClN2O2S and a molecular weight of 402.95 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
• PubChem CID: 55857637
• Molecular Formula: C21H23ClN2O2S
• Molecular Weight: 402.95 g/mol
• Exact Mass: 402.12
• IUPAC Name: 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
• SMILES: Cc1ccc(CN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C(C)C)o1
• InChI: InChI=1S/C21H23ClN2O2S/c1-14(2)24(12-19-8-7-15(3)26-19)21(25)11-18-13-27-20(23-18)10-16-5-4-6-17(22)9-16/h4-9,13-14H,10-12H2,1-3H3
• InChIKey: HYECTOUVUAHZDK-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.95
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide (CID 55857637) is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide is Cc1ccc(CN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C(C)C)o1.

What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide?

The InChIKey is HYECTOUVUAHZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2S/c1-14(2)24(12-19-8-7-15(3)26-19)21(25)11-18-13-27-20(23-18)10-16-5-4-6-17(22)9-16/h4-9,13-14H,10-12H2,1-3H3.

What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide?

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 402.95 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55857637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).