3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one

C13H11N3O2S2 — CID 6901652

IUPAC3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=N\N2C(=O)CSC2=S)c2ccccc21
InChIInChI=1S/C13H11N3O2S2/c1-2-15-9-6-4-3-5-8(9)11(12(15)18)14-16-10(17)7-20-13(16)19/h3-6H,2,7H2,1H3/b14-11-
InChIKeyOAIPYZBOCRVOHL-KAMYIIQDSA-N
MW305.38 g/mol
LogP1.62
Rot. Bonds2

About 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one

3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6901652) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6901652
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=N\N2C(=O)CSC2=S)c2ccccc21
InChIInChI=1S/C13H11N3O2S2/c1-2-15-9-6-4-3-5-8(9)11(12(15)18)14-16-10(17)7-20-13(16)19/h3-6H,2,7H2,1H3/b14-11-
InChIKeyOAIPYZBOCRVOHL-KAMYIIQDSA-N
XLogP1.62
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'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-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6901652) is 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)/C(=N\N2C(=O)CSC2=S)c2ccccc21.
What is the InChIKey of 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is OAIPYZBOCRVOHL-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-2-15-9-6-4-3-5-8(9)11(12(15)18)14-16-10(17)7-20-13(16)19/h3-6H,2,7H2,1H3/b14-11-.
What are the key properties of 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 305.38 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6901652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).