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

C19H16FNO3S — CID 121225034

IUPAC3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCOc1c(F)cccc1-c1cccc(C(CC(=O)O)c2nccs2)c1
InChIInChI=1S/C19H16FNO3S/c1-24-18-14(6-3-7-16(18)20)12-4-2-5-13(10-12)15(11-17(22)23)19-21-8-9-25-19/h2-10,15H,11H2,1H3,(H,22,23)
InChIKeyFRAQUKFMRKLPDU-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.56
Rot. Bonds6

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

3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 121225034) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID121225034
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCOc1c(F)cccc1-c1cccc(C(CC(=O)O)c2nccs2)c1
InChIInChI=1S/C19H16FNO3S/c1-24-18-14(6-3-7-16(18)20)12-4-2-5-13(10-12)15(11-17(22)23)19-21-8-9-25-19/h2-10,15H,11H2,1H3,(H,22,23)
InChIKeyFRAQUKFMRKLPDU-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-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (CID 121225034) is 3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is COc1c(F)cccc1-c1cccc(C(CC(=O)O)c2nccs2)c1.
What is the InChIKey of 3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is FRAQUKFMRKLPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-24-18-14(6-3-7-16(18)20)12-4-2-5-13(10-12)15(11-17(22)23)19-21-8-9-25-19/h2-10,15H,11H2,1H3,(H,22,23).
What are the key properties of 3-[3-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
3-[3-(3-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-(3-fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 121225034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).