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

C18H15NO3S — CID 13002628

IUPAC3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C18H15NO3S/c20-17(21)16(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-18-19-10-11-23-18/h1-11,16H,12H2,(H,20,21)
InChIKeyRWXOMNITPVYOKD-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.35
Rot. Bonds6

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

3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid (PubChem CID 13002628) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
PubChem CID13002628
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C18H15NO3S/c20-17(21)16(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-18-19-10-11-23-18/h1-11,16H,12H2,(H,20,21)
InChIKeyRWXOMNITPVYOKD-UHFFFAOYSA-N
XLogP4.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diphenyl-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]acetamide
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3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
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3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
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3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
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3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
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2-(3-propan-2-ylphenoxy)-1,3-thiazole
CID 177129402

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid?
The IUPAC name of 3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid (CID 13002628) is 3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid?
The canonical SMILES for 3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid is O=C(O)C(Cc1ccccc1)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of 3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid?
The InChIKey is RWXOMNITPVYOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c20-17(21)16(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-18-19-10-11-23-18/h1-11,16H,12H2,(H,20,21).
What are the key properties of 3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid?
3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid has a molecular weight of 325.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid is sourced from PubChem (CID 13002628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).