2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone

C14H10N2O2S5 — CID 2414449

IUPAC2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
SMILESO=C(CSc1nnc(SCC(=O)c2cccs2)s1)c1cccs1
InChIInChI=1S/C14H10N2O2S5/c17-9(11-3-1-5-19-11)7-21-13-15-16-14(23-13)22-8-10(18)12-4-2-6-20-12/h1-6H,7-8H2
InChIKeyKJJGDRSHPUGCPL-UHFFFAOYSA-N
MW398.58 g/mol
LogP4.61
Rot. Bonds8

About 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone

2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone (PubChem CID 2414449) has the molecular formula C14H10N2O2S5 and a molecular weight of 398.58 g/mol. Its IUPAC name is 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
PubChem CID2414449
Molecular FormulaC14H10N2O2S5
Molecular Weight398.58 g/mol
Exact Mass397.93
IUPAC Name2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
SMILESO=C(CSc1nnc(SCC(=O)c2cccs2)s1)c1cccs1
InChIInChI=1S/C14H10N2O2S5/c17-9(11-3-1-5-19-11)7-21-13-15-16-14(23-13)22-8-10(18)12-4-2-6-20-12/h1-6H,7-8H2
InChIKeyKJJGDRSHPUGCPL-UHFFFAOYSA-N
XLogP4.61
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone with MolForge

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Related Compounds

2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2339454
2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2581890
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 7994479
2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone
CID 3876278
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-thiophen-2-ylbutan-1-one
CID 7760136
1-thiophen-2-yl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
CID 706047
2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 60971710
2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 6492442
3-benzyl-7-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 7519960
2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 7608807
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 2573300

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone (CID 2414449) is 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone is O=C(CSc1nnc(SCC(=O)c2cccs2)s1)c1cccs1.
What is the InChIKey of 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
The InChIKey is KJJGDRSHPUGCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S5/c17-9(11-3-1-5-19-11)7-21-13-15-16-14(23-13)22-8-10(18)12-4-2-6-20-12/h1-6H,7-8H2.
What are the key properties of 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone has a molecular weight of 398.58 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 2414449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).