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

C18H14Cl2N2O3S2 — CID 6196959

IUPAC(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1N1CCOCC1
InChIInChI=1S/C18H14Cl2N2O3S2/c19-13-3-1-11(9-14(13)20)15-4-2-12(25-15)10-16-17(23)22(18(26)27-16)21-5-7-24-8-6-21/h1-4,9-10H,5-8H2/b16-10-
InChIKeyUFTKCFXXDYSNFE-YBEGLDIGSA-N
MW441.36 g/mol
LogP4.70
Rot. Bonds3

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

(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6196959) has the molecular formula C18H14Cl2N2O3S2 and a molecular weight of 441.36 g/mol. Its IUPAC name is (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6196959
Molecular FormulaC18H14Cl2N2O3S2
Molecular Weight441.36 g/mol
Exact Mass439.98
IUPAC Name(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1N1CCOCC1
InChIInChI=1S/C18H14Cl2N2O3S2/c19-13-3-1-11(9-14(13)20)15-4-2-12(25-15)10-16-17(23)22(18(26)27-16)21-5-7-24-8-6-21/h1-4,9-10H,5-8H2/b16-10-
InChIKeyUFTKCFXXDYSNFE-YBEGLDIGSA-N
XLogP4.70
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', '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)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1240187
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2188181
5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3858183
5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3122920
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268563
(5Z)-3-(4-methylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6531352
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50871813
4-[5-[[3-(4-methylpiperazin-1-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 4710281
5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1202908
(5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-(2,5-dimethylpyrrol-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2716162
3-morpholin-4-yl-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4763612
(5Z)-3-morpholin-4-yl-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2029627

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6196959) is (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1N1CCOCC1.
What is the InChIKey of (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is UFTKCFXXDYSNFE-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S2/c19-13-3-1-11(9-14(13)20)15-4-2-12(25-15)10-16-17(23)22(18(26)27-16)21-5-7-24-8-6-21/h1-4,9-10H,5-8H2/b16-10-.
What are the key properties of (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 441.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6196959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).