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

C14H7Cl2NO2S2 — CID 1397803

IUPAC(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)10-5-4-7(19-10)6-11-13(18)17-14(20)21-11/h1-6H,(H,17,18,20)/b11-6-
InChIKeyWVMZZSRDJRQJDI-WDZFZDKYSA-N
MW356.26 g/mol
LogP4.74
Rot. Bonds2

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

(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1397803) has the molecular formula C14H7Cl2NO2S2 and a molecular weight of 356.26 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1397803
Molecular FormulaC14H7Cl2NO2S2
Molecular Weight356.26 g/mol
Exact Mass354.93
IUPAC Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)10-5-4-7(19-10)6-11-13(18)17-14(20)21-11/h1-6H,(H,17,18,20)/b11-6-
InChIKeyWVMZZSRDJRQJDI-WDZFZDKYSA-N
XLogP4.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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}-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268564
5-((5-(3-Chlorophenyl)furan-2-yl)methylene)-2-thioxothiazolidin-4-one
CID 1369932
5-((5-(3-Chloro-4-methylphenyl)furan-2-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one
CID 1252780
5-{[5-(3-Chloro-4-fluorophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione
CID 1225146
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1576690
(Z)-5-((5-(2-chlorophenyl)furan-2-yl)methylene)-2-thioxothiazolidin-4-one
CID 1731052
Rhodanine, 1-11
CID 2256659
(5Z)-5-{[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
CID 1344086
(5Z)-5-{[5-(3,5-dichlorophenyl)furan-2-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
CID 1922463
5-((5-(2,4-Dichlorophenyl)furan-2-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one
CID 6524174
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777683
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154778142

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1397803) is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WVMZZSRDJRQJDI-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)10-5-4-7(19-10)6-11-13(18)17-14(20)21-11/h1-6H,(H,17,18,20)/b11-6-.
What are the key properties of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 356.26 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1397803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).