3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one

C10H6N4OS2 — CID 156754863

IUPAC3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Nc1n[nH]c(=S)s1
InChIInChI=1S/C10H6N4OS2/c15-8-7(12-9-13-14-10(16)17-9)5-3-1-2-4-6(5)11-8/h1-4H,(H,14,16)(H,11,12,13,15)
InChIKeyHIEYNFXJISNBIZ-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.27
Rot. Bonds1

About 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one

3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one (PubChem CID 156754863) has the molecular formula C10H6N4OS2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one
PubChem CID156754863
Molecular FormulaC10H6N4OS2
Molecular Weight262.32 g/mol
Exact Mass262.00
IUPAC Name3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Nc1n[nH]c(=S)s1
InChIInChI=1S/C10H6N4OS2/c15-8-7(12-9-13-14-10(16)17-9)5-3-1-2-4-6(5)11-8/h1-4H,(H,14,16)(H,11,12,13,15)
InChIKeyHIEYNFXJISNBIZ-UHFFFAOYSA-N
XLogP2.27
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one?
The IUPAC name of 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one (CID 156754863) is 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one.
What is the SMILES notation for 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one?
The canonical SMILES for 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one is O=C1Nc2ccccc2C1=Nc1n[nH]c(=S)s1.
What is the InChIKey of 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one?
The InChIKey is HIEYNFXJISNBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS2/c15-8-7(12-9-13-14-10(16)17-9)5-3-1-2-4-6(5)11-8/h1-4H,(H,14,16)(H,11,12,13,15).
What are the key properties of 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one?
3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one has a molecular weight of 262.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)imino]-1H-indol-2-one is sourced from PubChem (CID 156754863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).