4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

C24H26F3N3O3S — CID 25099088

About 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 25099088) has the molecular formula C24H26F3N3O3S and a molecular weight of 493.55 g/mol. Its IUPAC name is 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 25099088
• Molecular Formula: C24H26F3N3O3S
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.16
• IUPAC Name: 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CCN(CC)c1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO
• InChI: InChI=1S/C24H26F3N3O3S/c1-3-30(4-2)20-9-8-17(14-21(20)33-11-10-31)22(32)29-23-28-15-19(34-23)13-16-6-5-7-18(12-16)24(25,26)27/h5-9,12,14-15,31H,3-4,10-11,13H2,1-2H3,(H,28,29,32)
• InChIKey: DAVFKHKXIXGDTA-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 74.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 25099088) is 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is CCN(CC)c1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO.

What is the InChIKey of 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is DAVFKHKXIXGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3S/c1-3-30(4-2)20-9-8-17(14-21(20)33-11-10-31)22(32)29-23-28-15-19(34-23)13-16-6-5-7-18(12-16)24(25,26)27/h5-9,12,14-15,31H,3-4,10-11,13H2,1-2H3,(H,28,29,32).

What are the key properties of 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?

4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 493.55 g/mol, XLogP of 5.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylamino)-3-(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 25099088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).