2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide

C19H22N2O2S — CID 51121857

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1nc(C)c(C(C)NC(=O)Cc2coc3c(C)c(C)ccc23)s1
InChIInChI=1S/C19H22N2O2S/c1-10-6-7-16-15(9-23-18(16)11(10)2)8-17(22)21-13(4)19-12(3)20-14(5)24-19/h6-7,9,13H,8H2,1-5H3,(H,21,22)
InChIKeyNHDSIYRPDQQVSI-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.54
Rot. Bonds4

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 51121857) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID51121857
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1nc(C)c(C(C)NC(=O)Cc2coc3c(C)c(C)ccc23)s1
InChIInChI=1S/C19H22N2O2S/c1-10-6-7-16-15(9-23-18(16)11(10)2)8-17(22)21-13(4)19-12(3)20-14(5)24-19/h6-7,9,13H,8H2,1-5H3,(H,21,22)
InChIKeyNHDSIYRPDQQVSI-UHFFFAOYSA-N
XLogP4.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 46575789
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
N-[1-(3,4-difluorophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 43000615
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107025586
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 51081251
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 63681437
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 62232141

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide (CID 51121857) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide is Cc1nc(C)c(C(C)NC(=O)Cc2coc3c(C)c(C)ccc23)s1.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is NHDSIYRPDQQVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-10-6-7-16-15(9-23-18(16)11(10)2)8-17(22)21-13(4)19-12(3)20-14(5)24-19/h6-7,9,13H,8H2,1-5H3,(H,21,22).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 342.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 51121857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).