(2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one

C21H23N3O2S3 — CID 25251047

IUPAC(2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=c2/s/c(=C3/N(C)c4ccccc4C3(C)C)c(=O)n2CC)SC1=S
InChIInChI=1S/C21H23N3O2S3/c1-6-23-17(25)14(28-19(23)15-18(26)24(7-2)20(27)29-15)16-21(3,4)12-10-8-9-11-13(12)22(16)5/h8-11H,6-7H2,1-5H3/b16-14+,19-15-
InChIKeySUEWUYNYONLARP-GDSPCTNTSA-N
MW445.64 g/mol
LogP2.45
Rot. Bonds2

About (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one

(2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one (PubChem CID 25251047) has the molecular formula C21H23N3O2S3 and a molecular weight of 445.64 g/mol. Its IUPAC name is (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one
PubChem CID25251047
Molecular FormulaC21H23N3O2S3
Molecular Weight445.64 g/mol
Exact Mass445.10
IUPAC Name(2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=c2/s/c(=C3/N(C)c4ccccc4C3(C)C)c(=O)n2CC)SC1=S
InChIInChI=1S/C21H23N3O2S3/c1-6-23-17(25)14(28-19(23)15-18(26)24(7-2)20(27)29-15)16-21(3,4)12-10-8-9-11-13(12)22(16)5/h8-11H,6-7H2,1-5H3/b16-14+,19-15-
InChIKeySUEWUYNYONLARP-GDSPCTNTSA-N
XLogP2.45
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.64
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one (CID 25251047) is (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one is CCN1C(=O)/C(=c2/s/c(=C3/N(C)c4ccccc4C3(C)C)c(=O)n2CC)SC1=S.
What is the InChIKey of (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is SUEWUYNYONLARP-GDSPCTNTSA-N. The full InChI is InChI=1S/C21H23N3O2S3/c1-6-23-17(25)14(28-19(23)15-18(26)24(7-2)20(27)29-15)16-21(3,4)12-10-8-9-11-13(12)22(16)5/h8-11H,6-7H2,1-5H3/b16-14+,19-15-.
What are the key properties of (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one?
(2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 445.64 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25251047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).