5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C14H12N2O3S — CID 2679217

IUPAC5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1
InChIInChI=1S/C14H12N2O3S/c1-8-10-7-9(18-2)3-4-11(10)19-12(8)13(17)16-14-15-5-6-20-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyASEAPAQCRCSWJA-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.46
Rot. Bonds3

About 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2679217) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2679217
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1
InChIInChI=1S/C14H12N2O3S/c1-8-10-7-9(18-2)3-4-11(10)19-12(8)13(17)16-14-15-5-6-20-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyASEAPAQCRCSWJA-UHFFFAOYSA-N
XLogP3.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-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 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 2679217) is 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ASEAPAQCRCSWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-8-10-7-9(18-2)3-4-11(10)19-12(8)13(17)16-14-15-5-6-20-14/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2679217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).