[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate

C16H12N2O3S2 — CID 2379341

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12N2O3S2/c19-14(9-21-15(20)13-7-4-8-22-13)18-16-17-12(10-23-16)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18,19)
InChIKeyPLKXRSZKSSQHFR-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.67
Rot. Bonds5

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate (PubChem CID 2379341) has the molecular formula C16H12N2O3S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
PubChem CID2379341
Molecular FormulaC16H12N2O3S2
Molecular Weight344.42 g/mol
Exact Mass344.03
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12N2O3S2/c19-14(9-21-15(20)13-7-4-8-22-13)18-16-17-12(10-23-16)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18,19)
InChIKeyPLKXRSZKSSQHFR-UHFFFAOYSA-N
XLogP3.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate 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-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate (CID 2379341) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
The InChIKey is PLKXRSZKSSQHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S2/c19-14(9-21-15(20)13-7-4-8-22-13)18-16-17-12(10-23-16)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18,19).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2379341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).