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

C20H17N3O3S — CID 7729161

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3nnc(Cc4ccccc4)s3)coc2c1
InChIInChI=1S/C20H17N3O3S/c1-25-15-7-8-16-14(12-26-17(16)11-15)10-18(24)21-20-23-22-19(27-20)9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,23,24)
InChIKeyLLVKOTGEWVBVJZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.06
Rot. Bonds6

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 7729161) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID7729161
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3nnc(Cc4ccccc4)s3)coc2c1
InChIInChI=1S/C20H17N3O3S/c1-25-15-7-8-16-14(12-26-17(16)11-15)10-18(24)21-20-23-22-19(27-20)9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,23,24)
InChIKeyLLVKOTGEWVBVJZ-UHFFFAOYSA-N
XLogP4.06
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 8918673
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 39040767
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7534803
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 24509636
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
2-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1077863
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119566
3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 7729161) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)Nc3nnc(Cc4ccccc4)s3)coc2c1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is LLVKOTGEWVBVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-15-7-8-16-14(12-26-17(16)11-15)10-18(24)21-20-23-22-19(27-20)9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,23,24).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 7729161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).