ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate

C14H11NO3S — CID 78953834

IUPACethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H11NO3S/c1-2-17-14(16)10-8-19-13(15-10)12-7-9-5-3-4-6-11(9)18-12/h3-8H,2H2,1H3
InChIKeyKUCIXLVDAFLXTM-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.73
Rot. Bonds3

About ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 78953834) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID78953834
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Nameethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H11NO3S/c1-2-17-14(16)10-8-19-13(15-10)12-7-9-5-3-4-6-11(9)18-12/h3-8H,2H2,1H3
InChIKeyKUCIXLVDAFLXTM-UHFFFAOYSA-N
XLogP3.73
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-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 ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate (CID 78953834) is ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2cc3ccccc3o2)n1.
What is the InChIKey of ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is KUCIXLVDAFLXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-2-17-14(16)10-8-19-13(15-10)12-7-9-5-3-4-6-11(9)18-12/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 78953834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).