5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one

C13H8N2O3S2 — CID 23989969

IUPAC5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCC(=O)N1C(=O)C(=C2SC(=O)NC2=S)c2ccccc21
InChIInChI=1S/C13H8N2O3S2/c1-6(16)15-8-5-3-2-4-7(8)9(12(15)17)10-11(19)14-13(18)20-10/h2-5H,1H3,(H,14,18,19)
InChIKeyVNRJTBKDOBUTJL-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.07
Rot. Bonds

About 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one

5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 23989969) has the molecular formula C13H8N2O3S2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID23989969
Molecular FormulaC13H8N2O3S2
Molecular Weight304.35 g/mol
Exact Mass304.00
IUPAC Name5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCC(=O)N1C(=O)C(=C2SC(=O)NC2=S)c2ccccc21
InChIInChI=1S/C13H8N2O3S2/c1-6(16)15-8-5-3-2-4-7(8)9(12(15)17)10-11(19)14-13(18)20-10/h2-5H,1H3,(H,14,18,19)
InChIKeyVNRJTBKDOBUTJL-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one (CID 23989969) is 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one is CC(=O)N1C(=O)C(=C2SC(=O)NC2=S)c2ccccc21.
What is the InChIKey of 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is VNRJTBKDOBUTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S2/c1-6(16)15-8-5-3-2-4-7(8)9(12(15)17)10-11(19)14-13(18)20-10/h2-5H,1H3,(H,14,18,19).
What are the key properties of 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one?
5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 23989969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).