2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C14H13N3O2S — CID 47130862

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3nncs3)c2cc1C
InChIInChI=1S/C14H13N3O2S/c1-8-3-11-10(6-19-12(11)4-9(8)2)5-13(18)16-14-17-15-7-20-14/h3-4,6-7H,5H2,1-2H3,(H,16,17,18)
InChIKeyRSCMJVSBKYUSHT-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.08
Rot. Bonds3

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 47130862) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID47130862
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3nncs3)c2cc1C
InChIInChI=1S/C14H13N3O2S/c1-8-3-11-10(6-19-12(11)4-9(8)2)5-13(18)16-14-17-15-7-20-14/h3-4,6-7H,5H2,1-2H3,(H,16,17,18)
InChIKeyRSCMJVSBKYUSHT-UHFFFAOYSA-N
XLogP3.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548036
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 16551252
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 112765141
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 41069551
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 47130862) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1cc2occ(CC(=O)Nc3nncs3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RSCMJVSBKYUSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-3-11-10(6-19-12(11)4-9(8)2)5-13(18)16-14-17-15-7-20-14/h3-4,6-7H,5H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 287.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 47130862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).