3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid

C18H15NO2S — CID 86301987

IUPAC3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)CC(c1cccc(-c2ccccc2)c1)c1nccs1
InChIInChI=1S/C18H15NO2S/c20-17(21)12-16(18-19-9-10-22-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,20,21)
InChIKeyMGSWYLXRNPBIPP-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.42
Rot. Bonds5

About 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid

3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 86301987) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID86301987
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)CC(c1cccc(-c2ccccc2)c1)c1nccs1
InChIInChI=1S/C18H15NO2S/c20-17(21)12-16(18-19-9-10-22-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,20,21)
InChIKeyMGSWYLXRNPBIPP-UHFFFAOYSA-N
XLogP4.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid (CID 86301987) is 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid is O=C(O)CC(c1cccc(-c2ccccc2)c1)c1nccs1.
What is the InChIKey of 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is MGSWYLXRNPBIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-17(21)12-16(18-19-9-10-22-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,20,21).
What are the key properties of 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid?
3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 309.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 86301987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).