ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid

C26H30F3NO4S — CID 143460163

About ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid

ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid (PubChem CID 143460163) has the molecular formula C26H30F3NO4S and a molecular weight of 509.59 g/mol. Its IUPAC name is ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid.

Molecular Properties

• Compound Name: ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid
• PubChem CID: 143460163
• Molecular Formula: C26H30F3NO4S
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.18
• IUPAC Name: ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid
• SMILES: CC.Cc1cc(OCCCCc2nc(-c3ccc(C(F)(F)F)cc3)c(C)s2)ccc1OCC(=O)O
• InChI: InChI=1S/C24H24F3NO4S.C2H6/c1-15-13-19(10-11-20(15)32-14-22(29)30)31-12-4-3-5-21-28-23(16(2)33-21)17-6-8-18(9-7-17)24(25,26)27;1-2/h6-11,13H,3-5,12,14H2,1-2H3,(H,29,30);1-2H3
• InChIKey: SDJTVDUCJRJBIZ-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid?

The IUPAC name of ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid (CID 143460163) is ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid.

What is the SMILES notation for ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid?

The canonical SMILES for ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid is CC.Cc1cc(OCCCCc2nc(-c3ccc(C(F)(F)F)cc3)c(C)s2)ccc1OCC(=O)O.

What is the InChIKey of ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid?

The InChIKey is SDJTVDUCJRJBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO4S.C2H6/c1-15-13-19(10-11-20(15)32-14-22(29)30)31-12-4-3-5-21-28-23(16(2)33-21)17-6-8-18(9-7-17)24(25,26)27;1-2/h6-11,13H,3-5,12,14H2,1-2H3,(H,29,30);1-2H3.

What are the key properties of ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid?

ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid has a molecular weight of 509.59 g/mol, XLogP of 7.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[2-methyl-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid is sourced from PubChem (CID 143460163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).