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

C14H13N3O2S2 — CID 63737144

IUPAC1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESCN(C)c1nnc(SCC(=O)c2cc3ccccc3o2)s1
InChIInChI=1S/C14H13N3O2S2/c1-17(2)13-15-16-14(21-13)20-8-10(18)12-7-9-5-3-4-6-11(9)19-12/h3-7H,8H2,1-2H3
InChIKeyGTFVBSPMMMMAPD-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.33
Rot. Bonds5

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

1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (PubChem CID 63737144) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
PubChem CID63737144
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESCN(C)c1nnc(SCC(=O)c2cc3ccccc3o2)s1
InChIInChI=1S/C14H13N3O2S2/c1-17(2)13-15-16-14(21-13)20-8-10(18)12-7-9-5-3-4-6-11(9)19-12/h3-7H,8H2,1-2H3
InChIKeyGTFVBSPMMMMAPD-UHFFFAOYSA-N
XLogP3.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610673
1-(1-benzofuran-2-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 8674106
1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
CID 61243446
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylpropan-1-one
CID 115659222
1-(3-bromothiophen-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 55241250
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
CID 62646826
1-(1-benzofuran-2-yl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 8722989
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
CID 2335628
1-(1-benzofuran-2-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7682773
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide
CID 122154306
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 146025327
N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 63738165

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (CID 63737144) is 1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is CN(C)c1nnc(SCC(=O)c2cc3ccccc3o2)s1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is GTFVBSPMMMMAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-17(2)13-15-16-14(21-13)20-8-10(18)12-7-9-5-3-4-6-11(9)19-12/h3-7H,8H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 319.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 63737144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).