3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one

C23H26N4O2S3 — CID 5114858

IUPAC3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(=c2sc(=C3SC(C)=C(C)N3CC)c(=O)n2CC)N(c2ccccc2)C1=S
InChIInChI=1S/C23H26N4O2S3/c1-6-24-14(4)15(5)31-22(24)18-20(29)25(7-2)21(32-18)17-19(28)26(8-3)23(30)27(17)16-12-10-9-11-13-16/h9-13H,6-8H2,1-5H3
InChIKeyMUOFXCMYHKGWJK-UHFFFAOYSA-N
MW486.69 g/mol
LogP3.08
Rot. Bonds4

About 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one

3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one (PubChem CID 5114858) has the molecular formula C23H26N4O2S3 and a molecular weight of 486.69 g/mol. Its IUPAC name is 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one
PubChem CID5114858
Molecular FormulaC23H26N4O2S3
Molecular Weight486.69 g/mol
Exact Mass486.12
IUPAC Name3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(=c2sc(=C3SC(C)=C(C)N3CC)c(=O)n2CC)N(c2ccccc2)C1=S
InChIInChI=1S/C23H26N4O2S3/c1-6-24-14(4)15(5)31-22(24)18-20(29)25(7-2)21(32-18)17-19(28)26(8-3)23(30)27(17)16-12-10-9-11-13-16/h9-13H,6-8H2,1-5H3
InChIKeyMUOFXCMYHKGWJK-UHFFFAOYSA-N
XLogP3.08
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one (CID 5114858) is 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one is CCN1C(=O)C(=c2sc(=C3SC(C)=C(C)N3CC)c(=O)n2CC)N(c2ccccc2)C1=S.
What is the InChIKey of 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is MUOFXCMYHKGWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S3/c1-6-24-14(4)15(5)31-22(24)18-20(29)25(7-2)21(32-18)17-19(28)26(8-3)23(30)27(17)16-12-10-9-11-13-16/h9-13H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one?
3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 486.69 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5114858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).