2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide

C14H16N2O2S — CID 42656611

IUPAC2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C14H16N2O2S/c1-3-15-13(17)12-9-19-14(16-12)10-5-7-11(8-6-10)18-4-2/h5-9H,3-4H2,1-2H3,(H,15,17)
InChIKeyGMAIRTGIIMAQSV-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 42656611) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID42656611
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C14H16N2O2S/c1-3-15-13(17)12-9-19-14(16-12)10-5-7-11(8-6-10)18-4-2/h5-9H,3-4H2,1-2H3,(H,15,17)
InChIKeyGMAIRTGIIMAQSV-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide 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-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide (CID 42656611) is 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(-c2ccc(OCC)cc2)n1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is GMAIRTGIIMAQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-15-13(17)12-9-19-14(16-12)10-5-7-11(8-6-10)18-4-2/h5-9H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42656611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).