5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one

C13H13N3O2S — CID 95477969

IUPAC5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCCc3n[nH]c(=S)o3)ccc2N1
InChIInChI=1S/C13H13N3O2S/c17-11-7-9-6-8(4-5-10(9)14-11)2-1-3-12-15-16-13(19)18-12/h4-6H,1-3,7H2,(H,14,17)(H,16,19)
InChIKeyXYTCWIDWJLEHTL-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.40
Rot. Bonds4

About 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one

5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one (PubChem CID 95477969) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one
PubChem CID95477969
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCCc3n[nH]c(=S)o3)ccc2N1
InChIInChI=1S/C13H13N3O2S/c17-11-7-9-6-8(4-5-10(9)14-11)2-1-3-12-15-16-13(19)18-12/h4-6H,1-3,7H2,(H,14,17)(H,16,19)
InChIKeyXYTCWIDWJLEHTL-UHFFFAOYSA-N
XLogP2.40
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-(4-aminooxybutyl)-1,3-dihydroindol-2-one
CID 95443741
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
5-(2-morpholin-4-ylethyl)-1,3-dihydroindol-2-one
CID 10198779
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one (CID 95477969) is 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCCc3n[nH]c(=S)o3)ccc2N1.
What is the InChIKey of 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one?
The InChIKey is XYTCWIDWJLEHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-11-7-9-6-8(4-5-10(9)14-11)2-1-3-12-15-16-13(19)18-12/h4-6H,1-3,7H2,(H,14,17)(H,16,19).
What are the key properties of 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one?
5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one has a molecular weight of 275.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 95477969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).