ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid

C34H39F3N2O5S — CID 143147313

About ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid

ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid (PubChem CID 143147313) has the molecular formula C34H39F3N2O5S and a molecular weight of 644.76 g/mol. Its IUPAC name is ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid.

Molecular Properties

• Compound Name: ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid
• PubChem CID: 143147313
• Molecular Formula: C34H39F3N2O5S
• Molecular Weight: 644.76 g/mol
• Exact Mass: 644.25
• IUPAC Name: ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid
• SMILES: CC.CCC(=O)O.CCCc1ccc(OCc2nc(-c3ccc(NC(C)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)cc1C
• InChI: InChI=1S/C29H27F3N2O3S.C3H6O2.C2H6/c1-4-5-20-8-15-25(16-18(20)2)36-17-26-34-27(21-6-11-23(12-7-21)33-19(3)35)28(38-26)22-9-13-24(14-10-22)37-29(30,31)32;1-2-3(4)5;1-2/h6-16H,4-5,17H2,1-3H3,(H,33,35);2H2,1H3,(H,4,5);1-2H3
• InChIKey: ZQXUVIABGXJEMU-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 97.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.76
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid?

The IUPAC name of ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid (CID 143147313) is ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid.

What is the SMILES notation for ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid?

The canonical SMILES for ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid is CC.CCC(=O)O.CCCc1ccc(OCc2nc(-c3ccc(NC(C)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)cc1C.

What is the InChIKey of ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid?

The InChIKey is ZQXUVIABGXJEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N2O3S.C3H6O2.C2H6/c1-4-5-20-8-15-25(16-18(20)2)36-17-26-34-27(21-6-11-23(12-7-21)33-19(3)35)28(38-26)22-9-13-24(14-10-22)37-29(30,31)32;1-2-3(4)5;1-2/h6-16H,4-5,17H2,1-3H3,(H,33,35);2H2,1H3,(H,4,5);1-2H3.

What are the key properties of ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid?

ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid has a molecular weight of 644.76 g/mol, XLogP of 9.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[4-[2-[(3-methyl-4-propylphenoxy)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]phenyl]acetamide;propanoic acid is sourced from PubChem (CID 143147313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).