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

C15H14N2O3S — CID 2440876

IUPAC5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1
InChIInChI=1S/C15H14N2O3S/c1-3-19-10-4-5-12-11(8-10)9(2)13(20-12)14(18)17-15-16-6-7-21-15/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyXRKUNIMTMZAMMG-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.85
Rot. Bonds4

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

5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2440876) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2440876
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1
InChIInChI=1S/C15H14N2O3S/c1-3-19-10-4-5-12-11(8-10)9(2)13(20-12)14(18)17-15-16-6-7-21-15/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyXRKUNIMTMZAMMG-UHFFFAOYSA-N
XLogP3.85
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 2440876) is 5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is XRKUNIMTMZAMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-3-19-10-4-5-12-11(8-10)9(2)13(20-12)14(18)17-15-16-6-7-21-15/h4-8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2440876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).