3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid

C19H15F2NO4S — CID 23136369

IUPAC3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2cccc(Oc3nccs3)c2)c(F)c1
InChIInChI=1S/C19H15F2NO4S/c20-15-9-12(4-5-17(23)24)10-16(21)18(15)25-11-13-2-1-3-14(8-13)26-19-22-6-7-27-19/h1-3,6-10H,4-5,11H2,(H,23,24)
InChIKeyXKHQFUJHCBZYKC-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.81
Rot. Bonds8

About 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid

3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid (PubChem CID 23136369) has the molecular formula C19H15F2NO4S and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid
PubChem CID23136369
Molecular FormulaC19H15F2NO4S
Molecular Weight391.40 g/mol
Exact Mass391.07
IUPAC Name3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2cccc(Oc3nccs3)c2)c(F)c1
InChIInChI=1S/C19H15F2NO4S/c20-15-9-12(4-5-17(23)24)10-16(21)18(15)25-11-13-2-1-3-14(8-13)26-19-22-6-7-27-19/h1-3,6-10H,4-5,11H2,(H,23,24)
InChIKeyXKHQFUJHCBZYKC-UHFFFAOYSA-N
XLogP4.81
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid (CID 23136369) is 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid is O=C(O)CCc1cc(F)c(OCc2cccc(Oc3nccs3)c2)c(F)c1.
What is the InChIKey of 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid?
The InChIKey is XKHQFUJHCBZYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4S/c20-15-9-12(4-5-17(23)24)10-16(21)18(15)25-11-13-2-1-3-14(8-13)26-19-22-6-7-27-19/h1-3,6-10H,4-5,11H2,(H,23,24).
What are the key properties of 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid?
3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid has a molecular weight of 391.40 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-difluoro-4-[[3-(1,3-thiazol-2-yloxy)phenyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 23136369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).