2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide

C17H12N2O2S — CID 2129759

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1nccs1
InChIInChI=1S/C17H12N2O2S/c20-15(19-17-18-7-8-22-17)9-12-10-21-14-6-5-11-3-1-2-4-13(11)16(12)14/h1-8,10H,9H2,(H,18,19,20)
InChIKeyGFCPFOLXOGNGQK-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.22
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2129759) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2129759
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1nccs1
InChIInChI=1S/C17H12N2O2S/c20-15(19-17-18-7-8-22-17)9-12-10-21-14-6-5-11-3-1-2-4-13(11)16(12)14/h1-8,10H,9H2,(H,18,19,20)
InChIKeyGFCPFOLXOGNGQK-UHFFFAOYSA-N
XLogP4.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2440876
2-(6-methoxy-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 5139052
2-(6-methoxy-1-benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2547406
2-(5H,6H,7H-indeno(5,6-b)furan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2501755
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-1,3-thiazol-2-ylacetamide
CID 2237717
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2399629
9-methyl-N-1,3-thiazol-2-yl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 9550947
N-[5-(1-benzofuran-7-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 145969726
N-[5-(1-benzofuran-7-ylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 145987036
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 3155704
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2679202
3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 659730

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide (CID 2129759) is 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)Nc1nccs1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GFCPFOLXOGNGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-15(19-17-18-7-8-22-17)9-12-10-21-14-6-5-11-3-1-2-4-13(11)16(12)14/h1-8,10H,9H2,(H,18,19,20).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 308.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2129759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).