ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate

C23H19F6NO3S — CID 90418425

IUPACethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(F)c(OCc2c(C(F)(F)F)nsc2-c2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C23H19F6NO3S/c1-3-32-19(31)7-5-13-9-17(25)20(18(26)10-13)33-11-15-21(34-30-22(15)23(27,28)29)14-6-4-12(2)8-16(14)24/h4,6,8-10H,3,5,7,11H2,1-2H3
InChIKeySMNYNTRTFDLOAH-UHFFFAOYSA-N
MW503.46 g/mol
LogP6.63
Rot. Bonds8

About ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate

ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate (PubChem CID 90418425) has the molecular formula C23H19F6NO3S and a molecular weight of 503.46 g/mol. Its IUPAC name is ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate
PubChem CID90418425
Molecular FormulaC23H19F6NO3S
Molecular Weight503.46 g/mol
Exact Mass503.10
IUPAC Nameethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(F)c(OCc2c(C(F)(F)F)nsc2-c2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C23H19F6NO3S/c1-3-32-19(31)7-5-13-9-17(25)20(18(26)10-13)33-11-15-21(34-30-22(15)23(27,28)29)14-6-4-12(2)8-16(14)24/h4,6,8-10H,3,5,7,11H2,1-2H3
InChIKeySMNYNTRTFDLOAH-UHFFFAOYSA-N
XLogP6.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.46
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[4-[[2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90418017
ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90418449
ethyl 3-[4-[[3-(4-chlorophenyl)-5-fluorothiophen-2-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90418275
3-[4-[[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-3,5-difluorophenyl]propanoyl cyanide
CID 166656976
ethyl 3-[4-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90405892
ethyl 3-[3,5-difluoro-4-[(2-propan-2-ylsulfanylpyrimidin-4-yl)methoxy]phenyl]propanoate
CID 90118452
ethyl 3-[3,5-difluoro-4-[[3-(2-methylpropoxy)phenyl]methoxy]phenyl]propanoate
CID 23136278
ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate
CID 23136526
3-[4-[[3-(4-ethyl-2-fluorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 90418349
ethyl 3-[4-[[3-(4-chlorophenoxy)phenyl]methoxy]-3,5-difluorophenyl]propanoate
CID 23136377
3-[4-[[3-(3,4-difluorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-3,5-difluorophenyl]propanoic acid
CID 90418666
ethyl 3-(3-fluoro-5-methylphenyl)propanoate
CID 79018311

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate?
The IUPAC name of ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate (CID 90418425) is ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate is CCOC(=O)CCc1cc(F)c(OCc2c(C(F)(F)F)nsc2-c2ccc(C)cc2F)c(F)c1.
What is the InChIKey of ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate?
The InChIKey is SMNYNTRTFDLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6NO3S/c1-3-32-19(31)7-5-13-9-17(25)20(18(26)10-13)33-11-15-21(34-30-22(15)23(27,28)29)14-6-4-12(2)8-16(14)24/h4,6,8-10H,3,5,7,11H2,1-2H3.
What are the key properties of ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate?
ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate has a molecular weight of 503.46 g/mol, XLogP of 6.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate is sourced from PubChem (CID 90418425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).