ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate

C14H16N2O2S — CID 166594186

IUPACethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate
SMILESCCOC(=O)CCNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13(17)7-8-15-12-5-3-11(4-6-12)14-16-9-10-19-14/h3-6,9-10,15H,2,7-8H2,1H3
InChIKeyMLUURUBNHJEEMV-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.18
Rot. Bonds6

About ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate

ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate (PubChem CID 166594186) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate
PubChem CID166594186
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate
SMILESCCOC(=O)CCNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13(17)7-8-15-12-5-3-11(4-6-12)14-16-9-10-19-14/h3-6,9-10,15H,2,7-8H2,1H3
InChIKeyMLUURUBNHJEEMV-UHFFFAOYSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate 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 ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate?
The IUPAC name of ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate (CID 166594186) is ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate.
What is the SMILES notation for ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate?
The canonical SMILES for ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate is CCOC(=O)CCNc1ccc(-c2nccs2)cc1.
What is the InChIKey of ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate?
The InChIKey is MLUURUBNHJEEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-18-13(17)7-8-15-12-5-3-11(4-6-12)14-16-9-10-19-14/h3-6,9-10,15H,2,7-8H2,1H3.
What are the key properties of ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate?
ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate has a molecular weight of 276.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(1,3-thiazol-2-yl)anilino]propanoate is sourced from PubChem (CID 166594186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).