(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one

C20H28N2O3S2 — CID 19131294

IUPAC(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCCCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=S
InChIInChI=1S/C20H28N2O3S2/c1-2-3-4-5-6-7-10-22-19(23)17(27-20(22)26)15-16-8-9-18(25-16)21-11-13-24-14-12-21/h8-9,15H,2-7,10-14H2,1H3/b17-15-
InChIKeyAFKAPUTXKMYXME-ICFOKQHNSA-N
MW408.59 g/mol
LogP4.68
Rot. Bonds9

About (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 19131294) has the molecular formula C20H28N2O3S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID19131294
Molecular FormulaC20H28N2O3S2
Molecular Weight408.59 g/mol
Exact Mass408.15
IUPAC Name(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCCCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=S
InChIInChI=1S/C20H28N2O3S2/c1-2-3-4-5-6-7-10-22-19(23)17(27-20(22)26)15-16-8-9-18(25-16)21-11-13-24-14-12-21/h8-9,15H,2-7,10-14H2,1H3/b17-15-
InChIKeyAFKAPUTXKMYXME-ICFOKQHNSA-N
XLogP4.68
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-octyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19131364
4-[(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 2035540
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6378534
(5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126154946
5-[(1-methyl-4-morpholin-4-yl-2-oxoquinolin-3-yl)methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3443410
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 2287168
N-(2,4-dimethylphenyl)-2-[(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126020113
(5E)-3-[(2R)-butan-2-yl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5455496
N-(3,4-dimethylphenyl)-2-[(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 2261440
5-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile
CID 5264127
(5Z)-3-decyl-5-[[5-[5-[(Z)-(3-decyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 140958644
5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1-propylpyridine-3-carbonitrile
CID 5265316

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 19131294) is (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one is CCCCCCCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=S.
What is the InChIKey of (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is AFKAPUTXKMYXME-ICFOKQHNSA-N. The full InChI is InChI=1S/C20H28N2O3S2/c1-2-3-4-5-6-7-10-22-19(23)17(27-20(22)26)15-16-8-9-18(25-16)21-11-13-24-14-12-21/h8-9,15H,2-7,10-14H2,1H3/b17-15-.
What are the key properties of (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 408.59 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 19131294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).