2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid

C24H24F3NO4S — CID 71044220

IUPAC2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid
SMILESCCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CCC(=O)c1ccc(OCC(=O)O)c(C)c1
InChIInChI=1S/C24H24F3NO4S/c1-3-18-21(33-23(28-18)15-4-7-17(8-5-15)24(25,26)27)11-9-19(29)16-6-10-20(14(2)12-16)32-13-22(30)31/h4-8,10,12,18,21H,3,9,11,13H2,1-2H3,(H,30,31)
InChIKeyGLOXOPYNYATFRP-UHFFFAOYSA-N
MW479.52 g/mol
LogP5.78
Rot. Bonds9

About 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid

2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid (PubChem CID 71044220) has the molecular formula C24H24F3NO4S and a molecular weight of 479.52 g/mol. Its IUPAC name is 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid
PubChem CID71044220
Molecular FormulaC24H24F3NO4S
Molecular Weight479.52 g/mol
Exact Mass479.14
IUPAC Name2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid
SMILESCCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CCC(=O)c1ccc(OCC(=O)O)c(C)c1
InChIInChI=1S/C24H24F3NO4S/c1-3-18-21(33-23(28-18)15-4-7-17(8-5-15)24(25,26)27)11-9-19(29)16-6-10-20(14(2)12-16)32-13-22(30)31/h4-8,10,12,18,21H,3,9,11,13H2,1-2H3,(H,30,31)
InChIKeyGLOXOPYNYATFRP-UHFFFAOYSA-N
XLogP5.78
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxy-3-methylphenyl)-3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propan-1-one;2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetic acid
CID 159887897
2-[3,5-dimethyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
CID 71069800
2-[4-[[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]methylsulfanyl]-2-methylphenoxy]acetic acid
CID 88941524
methyl 2-[2-methyl-4-[3-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]propanoyl]phenoxy]acetate
CID 69445289
2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfinyl]phenoxy]acetic acid
CID 71464601
2-[2-methyl-4-[[3-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methoxy]phenoxy]acetic acid
CID 10113892
2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]phenoxy]propanoic acid
CID 67418251
methyl 2-[5-fluoro-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetate
CID 71069826
2-[4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenoxy]acetic acid
CID 11317226
2-[4-[(Z)-3-(4-fluorophenyl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]prop-2-enyl]sulfanyl-2-methylphenoxy]acetic acid
CID 10392856
2-[4-[(E)-C-[(4-chlorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetic acid
CID 24950433
butane;2-[2-methyl-4-[[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylsulfanyl]phenoxy]acetic acid
CID 142844394

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid (CID 71044220) is 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid is CCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CCC(=O)c1ccc(OCC(=O)O)c(C)c1.
What is the InChIKey of 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid?
The InChIKey is GLOXOPYNYATFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO4S/c1-3-18-21(33-23(28-18)15-4-7-17(8-5-15)24(25,26)27)11-9-19(29)16-6-10-20(14(2)12-16)32-13-22(30)31/h4-8,10,12,18,21H,3,9,11,13H2,1-2H3,(H,30,31).
What are the key properties of 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid?
2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid has a molecular weight of 479.52 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 71044220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).