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

C18H15FN4OS2 — CID 8674076

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCc2ccccc21
InChIInChI=1S/C18H15FN4OS2/c19-13-5-3-6-14(10-13)20-17-21-22-18(26-17)25-11-16(24)23-9-8-12-4-1-2-7-15(12)23/h1-7,10H,8-9,11H2,(H,20,21)
InChIKeyXDRJTSPWRADANO-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.10
Rot. Bonds5

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

1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (PubChem CID 8674076) 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-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
PubChem CID8674076
Molecular FormulaC18H15FN4OS2
Molecular Weight386.48 g/mol
Exact Mass386.07
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCc2ccccc21
InChIInChI=1S/C18H15FN4OS2/c19-13-5-3-6-14(10-13)20-17-21-22-18(26-17)25-11-16(24)23-9-8-12-4-1-2-7-15(12)23/h1-7,10H,8-9,11H2,(H,20,21)
InChIKeyXDRJTSPWRADANO-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (CID 8674076) is 1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is XDRJTSPWRADANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS2/c19-13-5-3-6-14(10-13)20-17-21-22-18(26-17)25-11-16(24)23-9-8-12-4-1-2-7-15(12)23/h1-7,10H,8-9,11H2,(H,20,21).
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[[5-(3-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-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 8674076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).