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

C12H8N2O2S2 — CID 71606294

IUPAC(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCN1C(=O)/C(=C2\SC(=O)NC2=S)c2ccccc21
InChIInChI=1S/C12H8N2O2S2/c1-14-7-5-3-2-4-6(7)8(11(14)15)9-10(17)13-12(16)18-9/h2-5H,1H3,(H,13,16,17)/b9-8-
InChIKeyFLYQQTODZCXGEF-HJWRWDBZSA-N
MW276.34 g/mol
LogP2.16
Rot. Bonds

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

(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 71606294) has the molecular formula C12H8N2O2S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID71606294
Molecular FormulaC12H8N2O2S2
Molecular Weight276.34 g/mol
Exact Mass276.00
IUPAC Name(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCN1C(=O)/C(=C2\SC(=O)NC2=S)c2ccccc21
InChIInChI=1S/C12H8N2O2S2/c1-14-7-5-3-2-4-6(7)8(11(14)15)9-10(17)13-12(16)18-9/h2-5H,1H3,(H,13,16,17)/b9-8-
InChIKeyFLYQQTODZCXGEF-HJWRWDBZSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one (CID 71606294) is (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one is CN1C(=O)/C(=C2\SC(=O)NC2=S)c2ccccc21.
What is the InChIKey of (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is FLYQQTODZCXGEF-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H8N2O2S2/c1-14-7-5-3-2-4-6(7)8(11(14)15)9-10(17)13-12(16)18-9/h2-5H,1H3,(H,13,16,17)/b9-8-.
What are the key properties of (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one?
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 71606294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).