(5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C18H14ClNO3S2 — CID 134110184

IUPAC(5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCO/C=C1/SC(=S)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C18H14ClNO3S2/c1-2-22-11-16-17(21)20(18(24)25-16)13-5-9-15(10-6-13)23-14-7-3-12(19)4-8-14/h3-11H,2H2,1H3/b16-11+
InChIKeyKCCAZCZHYFGHTQ-LFIBNONCSA-N
MW391.90 g/mol
LogP5.37
Rot. Bonds5

About (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 134110184) has the molecular formula C18H14ClNO3S2 and a molecular weight of 391.90 g/mol. Its IUPAC name is (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID134110184
Molecular FormulaC18H14ClNO3S2
Molecular Weight391.90 g/mol
Exact Mass391.01
IUPAC Name(5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCO/C=C1/SC(=S)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C18H14ClNO3S2/c1-2-22-11-16-17(21)20(18(24)25-16)13-5-9-15(10-6-13)23-14-7-3-12(19)4-8-14/h3-11H,2H2,1H3/b16-11+
InChIKeyKCCAZCZHYFGHTQ-LFIBNONCSA-N
XLogP5.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5E)-5-(ethoxymethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 45481856
(5E)-3-(4-chlorophenyl)-5-[(4-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2287503
(5E)-5-[(3-chlorophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 96874665
(5E)-5-[[4-[(2S)-butan-2-yl]oxyphenyl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126345277
(5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 134103760
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6136329
ethyl 4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 122713903
5-[[4-(4-chlorophenoxy)phenyl]methylidene]-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one;dihydrochloride
CID 142712230
3-(4-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1347612
(5Z)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 94851475
(5Z)-5-[[2-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126354646
2-[4-[(E)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 124571908

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 134110184) is (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is CCO/C=C1/SC(=S)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O.
What is the InChIKey of (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KCCAZCZHYFGHTQ-LFIBNONCSA-N. The full InChI is InChI=1S/C18H14ClNO3S2/c1-2-22-11-16-17(21)20(18(24)25-16)13-5-9-15(10-6-13)23-14-7-3-12(19)4-8-14/h3-11H,2H2,1H3/b16-11+.
What are the key properties of (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 391.90 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 134110184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).