2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid

C14H15NO2S — CID 15163942

IUPAC2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid
SMILESCCc1cnc(-c2ccc(C(C)C(=O)O)cc2)s1
InChIInChI=1S/C14H15NO2S/c1-3-12-8-15-13(18-12)11-6-4-10(5-7-11)9(2)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyNTZYUXOOZFLHEE-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.56
Rot. Bonds4

About 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid

2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid (PubChem CID 15163942) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid
PubChem CID15163942
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid
SMILESCCc1cnc(-c2ccc(C(C)C(=O)O)cc2)s1
InChIInChI=1S/C14H15NO2S/c1-3-12-8-15-13(18-12)11-6-4-10(5-7-11)9(2)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyNTZYUXOOZFLHEE-UHFFFAOYSA-N
XLogP3.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]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 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid (CID 15163942) is 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid is CCc1cnc(-c2ccc(C(C)C(=O)O)cc2)s1.
What is the InChIKey of 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid?
The InChIKey is NTZYUXOOZFLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-12-8-15-13(18-12)11-6-4-10(5-7-11)9(2)14(16)17/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid?
2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid has a molecular weight of 261.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-1,3-thiazol-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 15163942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).