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

C13H10N2O2S2 — CID 60875235

IUPAC1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)c2coc3ccccc23)s1
InChIInChI=1S/C13H10N2O2S2/c1-8-14-15-13(19-8)18-7-11(16)10-6-17-12-5-3-2-4-9(10)12/h2-6H,7H2,1H3
InChIKeyDEJOFJCEKSBIQB-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.57
Rot. Bonds4

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

1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 60875235) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID60875235
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)c2coc3ccccc23)s1
InChIInChI=1S/C13H10N2O2S2/c1-8-14-15-13(19-8)18-7-11(16)10-6-17-12-5-3-2-4-9(10)12/h2-6H,7H2,1H3
InChIKeyDEJOFJCEKSBIQB-UHFFFAOYSA-N
XLogP3.57
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-benzofuran-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 115383260
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone
CID 55228253
3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312771
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3381295
1-(4-tert-butylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 972503
1-(1-benzofuran-3-yl)-2-(2-methylsulfonylethylsulfanyl)ethanone
CID 63659750
1-(1-benzofuran-3-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797949
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-naphthalen-1-ylethanone
CID 593277
N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 672788
1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050875
1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997188

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 60875235) is 1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)c2coc3ccccc23)s1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is DEJOFJCEKSBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-8-14-15-13(19-8)18-7-11(16)10-6-17-12-5-3-2-4-9(10)12/h2-6H,7H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 60875235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).