1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

C13H10N2O2S3 — CID 115383260

IUPAC1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCSc1nnc(SCC(=O)c2coc3ccccc23)s1
InChIInChI=1S/C13H10N2O2S3/c1-18-12-14-15-13(20-12)19-7-10(16)9-6-17-11-5-3-2-4-8(9)11/h2-6H,7H2,1H3
InChIKeyLCZWCFOCWQFREE-UHFFFAOYSA-N
MW322.44 g/mol
LogP3.98
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 115383260) has the molecular formula C13H10N2O2S3 and a molecular weight of 322.44 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID115383260
Molecular FormulaC13H10N2O2S3
Molecular Weight322.44 g/mol
Exact Mass321.99
IUPAC Name1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCSc1nnc(SCC(=O)c2coc3ccccc23)s1
InChIInChI=1S/C13H10N2O2S3/c1-18-12-14-15-13(20-12)19-7-10(16)9-6-17-11-5-3-2-4-8(9)11/h2-6H,7H2,1H3
InChIKeyLCZWCFOCWQFREE-UHFFFAOYSA-N
XLogP3.98
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone 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

1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 60875235
1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 43802131
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone
CID 55228253
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 7898068
1-(1-benzofuran-3-yl)-2-(2-methylsulfonylethylsulfanyl)ethanone
CID 63659750
3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312771
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-naphthalen-1-ylethanone
CID 593277
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 84602735
1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997188
2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2414449
1-(1-benzofuran-3-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797949

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 115383260) is 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is CSc1nnc(SCC(=O)c2coc3ccccc23)s1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is LCZWCFOCWQFREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S3/c1-18-12-14-15-13(20-12)19-7-10(16)9-6-17-11-5-3-2-4-8(9)11/h2-6H,7H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 322.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 115383260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).