1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

C18H15FN4OS2 — CID 2584860

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)N1CCc2ccccc21
InChIInChI=1S/C18H15FN4OS2/c19-13-6-2-3-7-14(13)20-17-21-22-18(26-17)25-11-16(24)23-10-9-12-5-1-4-8-15(12)23/h1-8H,9-11H2,(H,20,21)
InChIKeyQYKVGQKPDJYPRH-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.10
Rot. Bonds5

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

1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (PubChem CID 2584860) has the molecular formula C18H15FN4OS2 and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
PubChem CID2584860
Molecular FormulaC18H15FN4OS2
Molecular Weight386.48 g/mol
Exact Mass386.07
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)N1CCc2ccccc21
InChIInChI=1S/C18H15FN4OS2/c19-13-6-2-3-7-14(13)20-17-21-22-18(26-17)25-11-16(24)23-10-9-12-5-1-4-8-15(12)23/h1-8H,9-11H2,(H,20,21)
InChIKeyQYKVGQKPDJYPRH-UHFFFAOYSA-N
XLogP4.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 3418404
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
CID 2991656
7-[[5-(2-Methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2419749
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2438178
7-[[5-(4-Ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2581531
2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2581900
2-[[2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2583864
N-{5-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethylsulfanyl]-[1,3,4]thiadiazol-2-yl}-isobutyramide
CID 3220444
2-[[[5-(2-Fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]isoindole-1,3-dione
CID 4431967
N-(2-((2-Ethylphenyl)amino)-2-oxoethyl)-N-methyl-2-((5-(m-tolylamino)-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 15945270
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]acetamide
CID 162652553
N-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 162652876

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (CID 2584860) is 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is QYKVGQKPDJYPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS2/c19-13-6-2-3-7-14(13)20-17-21-22-18(26-17)25-11-16(24)23-10-9-12-5-1-4-8-15(12)23/h1-8H,9-11H2,(H,20,21).
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 386.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 2584860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).