3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

C25H26F3N3O4S — CID 45270133

About 3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 45270133) has the molecular formula C25H26F3N3O4S and a molecular weight of 521.56 g/mol. Its IUPAC name is 3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 45270133
• Molecular Formula: C25H26F3N3O4S
• Molecular Weight: 521.56 g/mol
• Exact Mass: 521.16
• IUPAC Name: 3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
• SMILES: COc1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)ccc1OCCN1CCOCC1
• InChI: InChI=1S/C25H26F3N3O4S/c1-33-22-15-18(5-6-21(22)35-12-9-31-7-10-34-11-8-31)23(32)30-24-29-16-20(36-24)14-17-3-2-4-19(13-17)25(26,27)28/h2-6,13,15-16H,7-12,14H2,1H3,(H,29,30,32)
• InChIKey: HZJOQDIJBARWDQ-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.56
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 45270133) is 3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

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

The canonical SMILES for 3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is COc1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)ccc1OCCN1CCOCC1.

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

The InChIKey is HZJOQDIJBARWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O4S/c1-33-22-15-18(5-6-21(22)35-12-9-31-7-10-34-11-8-31)23(32)30-24-29-16-20(36-24)14-17-3-2-4-19(13-17)25(26,27)28/h2-6,13,15-16H,7-12,14H2,1H3,(H,29,30,32).

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

3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 521.56 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-4-(2-morpholin-4-ylethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 45270133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).