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

C19H15F2NO3S — CID 45380738

IUPAC3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2ncsc2-c2ccccc2)c(F)c1
InChIInChI=1S/C19H15F2NO3S/c20-14-8-12(6-7-17(23)24)9-15(21)18(14)25-10-16-19(26-11-22-16)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,23,24)
InChIKeyRATOBKLAYFKPNA-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.68
Rot. Bonds7

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

3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid (PubChem CID 45380738) has the molecular formula C19H15F2NO3S and a molecular weight of 375.40 g/mol. Its IUPAC name is 3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid
PubChem CID45380738
Molecular FormulaC19H15F2NO3S
Molecular Weight375.40 g/mol
Exact Mass375.07
IUPAC Name3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2ncsc2-c2ccccc2)c(F)c1
InChIInChI=1S/C19H15F2NO3S/c20-14-8-12(6-7-17(23)24)9-15(21)18(14)25-10-16-19(26-11-22-16)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,23,24)
InChIKeyRATOBKLAYFKPNA-UHFFFAOYSA-N
XLogP4.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid (CID 45380738) is 3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid is O=C(O)CCc1cc(F)c(OCc2ncsc2-c2ccccc2)c(F)c1.
What is the InChIKey of 3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid?
The InChIKey is RATOBKLAYFKPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3S/c20-14-8-12(6-7-17(23)24)9-15(21)18(14)25-10-16-19(26-11-22-16)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,23,24).
What are the key properties of 3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid?
3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid has a molecular weight of 375.40 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-difluoro-4-[(5-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 45380738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).