3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid

C19H16FNO3S — CID 121225000

IUPAC3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCOc1ccc(F)cc1-c1cccc(C(CC(=O)O)c2nccs2)c1
InChIInChI=1S/C19H16FNO3S/c1-24-17-6-5-14(20)10-15(17)12-3-2-4-13(9-12)16(11-18(22)23)19-21-7-8-25-19/h2-10,16H,11H2,1H3,(H,22,23)
InChIKeyUCZKIGZHONQJPI-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.56
Rot. Bonds6

About 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid

3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 121225000) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID121225000
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCOc1ccc(F)cc1-c1cccc(C(CC(=O)O)c2nccs2)c1
InChIInChI=1S/C19H16FNO3S/c1-24-17-6-5-14(20)10-15(17)12-3-2-4-13(9-12)16(11-18(22)23)19-21-7-8-25-19/h2-10,16H,11H2,1H3,(H,22,23)
InChIKeyUCZKIGZHONQJPI-UHFFFAOYSA-N
XLogP4.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (CID 121225000) is 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is COc1ccc(F)cc1-c1cccc(C(CC(=O)O)c2nccs2)c1.
What is the InChIKey of 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is UCZKIGZHONQJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-24-17-6-5-14(20)10-15(17)12-3-2-4-13(9-12)16(11-18(22)23)19-21-7-8-25-19/h2-10,16H,11H2,1H3,(H,22,23).
What are the key properties of 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 121225000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).