2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid

C12H10FNO3S — CID 12785135

IUPAC2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Oc2nccs2)c(F)c1
InChIInChI=1S/C12H10FNO3S/c1-7(11(15)16)8-2-3-10(9(13)6-8)17-12-14-4-5-18-12/h2-7H,1H3,(H,15,16)
InChIKeyPPHJQZJLRKJTMK-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.26
Rot. Bonds4

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

2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid (PubChem CID 12785135) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
PubChem CID12785135
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Oc2nccs2)c(F)c1
InChIInChI=1S/C12H10FNO3S/c1-7(11(15)16)8-2-3-10(9(13)6-8)17-12-14-4-5-18-12/h2-7H,1H3,(H,15,16)
InChIKeyPPHJQZJLRKJTMK-UHFFFAOYSA-N
XLogP3.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid?
The IUPAC name of 2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid (CID 12785135) is 2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid?
The canonical SMILES for 2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid is CC(C(=O)O)c1ccc(Oc2nccs2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid?
The InChIKey is PPHJQZJLRKJTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-7(11(15)16)8-2-3-10(9(13)6-8)17-12-14-4-5-18-12/h2-7H,1H3,(H,15,16).
What are the key properties of 2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid?
2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid is sourced from PubChem (CID 12785135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).