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

C25H29F4NO3S — CID 143069308

IUPACethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid
SMILESCC.CC.Cc1ccc(OCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)cc1CC(=O)O
InChIInChI=1S/C21H17F4NO3S.2C2H6/c1-11-3-5-15(7-14(11)9-19(27)28)29-10-18-12(2)26-20(30-18)13-4-6-16(17(22)8-13)21(23,24)25;2*1-2/h3-8H,9-10H2,1-2H3,(H,27,28);2*1-2H3
InChIKeyRRFGBJDKGVJAPB-UHFFFAOYSA-N
MW499.57 g/mol
LogP7.84
Rot. Bonds6

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

ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid (PubChem CID 143069308) has the molecular formula C25H29F4NO3S and a molecular weight of 499.57 g/mol. Its IUPAC name is ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid.

Molecular Properties

Compound Nameethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid
PubChem CID143069308
Molecular FormulaC25H29F4NO3S
Molecular Weight499.57 g/mol
Exact Mass499.18
IUPAC Nameethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid
SMILESCC.CC.Cc1ccc(OCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)cc1CC(=O)O
InChIInChI=1S/C21H17F4NO3S.2C2H6/c1-11-3-5-15(7-14(11)9-19(27)28)29-10-18-12(2)26-20(30-18)13-4-6-16(17(22)8-13)21(23,24)25;2*1-2/h3-8H,9-10H2,1-2H3,(H,27,28);2*1-2H3
InChIKeyRRFGBJDKGVJAPB-UHFFFAOYSA-N
XLogP7.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-4H-thiochromen-2-yl]propanoic acid
CID 143069304
2-[2-fluoro-4-[[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid
CID 155547595
2,2-dideuterio-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
CID 155517891
4-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]butan-2-one
CID 20720988
2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-isoindol-1-yl]acetic acid
CID 58942901
2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylselanyl]-2-methylphenoxy]-2-methylpropanoic acid
CID 50925504
(E)-4-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]but-3-en-2-one
CID 20720987
(E)-3-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylamino]phenyl]prop-2-enoic acid
CID 166636489
2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 10344905
2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-5-methyl-4H-thiochromen-2-yl]acetic acid
CID 149385647
(3S)-4-amino-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-6-oxohex-4-enoic acid
CID 162584446
3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoic acid
CID 10238968

Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid?
The IUPAC name of ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid (CID 143069308) is ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid.
What is the SMILES notation for ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid?
The canonical SMILES for ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid is CC.CC.Cc1ccc(OCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)cc1CC(=O)O.
What is the InChIKey of ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid?
The InChIKey is RRFGBJDKGVJAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4NO3S.2C2H6/c1-11-3-5-15(7-14(11)9-19(27)28)29-10-18-12(2)26-20(30-18)13-4-6-16(17(22)8-13)21(23,24)25;2*1-2/h3-8H,9-10H2,1-2H3,(H,27,28);2*1-2H3.
What are the key properties of ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid?
ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid has a molecular weight of 499.57 g/mol, XLogP of 7.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]acetic acid is sourced from PubChem (CID 143069308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).