N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide

C25H31N3O2S — CID 3189574

About N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide

N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (PubChem CID 3189574) has the molecular formula C25H31N3O2S and a molecular weight of 437.61 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
• PubChem CID: 3189574
• Molecular Formula: C25H31N3O2S
• Molecular Weight: 437.61 g/mol
• Exact Mass: 437.21
• IUPAC Name: N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
• SMILES: CCN(CC)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1
• InChI: InChI=1S/C25H31N3O2S/c1-4-27(5-2)16-9-17-28(24(29)18-30-22-10-7-6-8-11-22)25-26-23(19-31-25)21-14-12-20(3)13-15-21/h6-8,10-15,19H,4-5,9,16-18H2,1-3H3
• InChIKey: BPSLXCYFPKLKTL-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.61
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?

The IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (CID 3189574) is N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.

What is the SMILES notation for N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?

The canonical SMILES for N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is CCN(CC)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1.

What is the InChIKey of N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?

The InChIKey is BPSLXCYFPKLKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S/c1-4-27(5-2)16-9-17-28(24(29)18-30-22-10-7-6-8-11-22)25-26-23(19-31-25)21-14-12-20(3)13-15-21/h6-8,10-15,19H,4-5,9,16-18H2,1-3H3.

What are the key properties of N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?

N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 437.61 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 3189574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).