N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide

C27H35N3O4S — CID 3172978

About N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide

N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 3172978) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
• PubChem CID: 3172978
• Molecular Formula: C27H35N3O4S
• Molecular Weight: 497.66 g/mol
• Exact Mass: 497.23
• IUPAC Name: N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
• SMILES: CCN(CC)CCCN(C(=O)COc1ccc(C)cc1)c1nc(-c2cc(OC)ccc2OC)cs1
• InChI: InChI=1S/C27H35N3O4S/c1-6-29(7-2)15-8-16-30(26(31)18-34-21-11-9-20(3)10-12-21)27-28-24(19-35-27)23-17-22(32-4)13-14-25(23)33-5/h9-14,17,19H,6-8,15-16,18H2,1-5H3
• InChIKey: ZYFMUFBHWNMLQI-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.66
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide?

The IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide (CID 3172978) is N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide.

What is the SMILES notation for N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide?

The canonical SMILES for N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide is CCN(CC)CCCN(C(=O)COc1ccc(C)cc1)c1nc(-c2cc(OC)ccc2OC)cs1.

What is the InChIKey of N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide?

The InChIKey is ZYFMUFBHWNMLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-6-29(7-2)15-8-16-30(26(31)18-34-21-11-9-20(3)10-12-21)27-28-24(19-35-27)23-17-22(32-4)13-14-25(23)33-5/h9-14,17,19H,6-8,15-16,18H2,1-5H3.

What are the key properties of N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide?

N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 497.66 g/mol, XLogP of 5.28, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 3172978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).