2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H12N2O2S — CID 110463883

IUPAC2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cc2coc3ccccc23)n1
InChIInChI=1S/C14H12N2O2S/c1-9-8-19-14(15-9)16-13(17)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7-8H,6H2,1H3,(H,15,16,17)
InChIKeyLJWURQBVMGTPMB-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.38
Rot. Bonds3

About 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 110463883) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID110463883
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cc2coc3ccccc23)n1
InChIInChI=1S/C14H12N2O2S/c1-9-8-19-14(15-9)16-13(17)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7-8H,6H2,1H3,(H,15,16,17)
InChIKeyLJWURQBVMGTPMB-UHFFFAOYSA-N
XLogP3.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 110463883) is 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cc2coc3ccccc23)n1.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LJWURQBVMGTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-8-19-14(15-9)16-13(17)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7-8H,6H2,1H3,(H,15,16,17).
What are the key properties of 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 272.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110463883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).