(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C19H16ClNO2S2 — CID 2297312

IUPAC(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(C)c2)C1=O
InChIInChI=1S/C19H16ClNO2S2/c1-3-23-16-8-7-14(20)10-13(16)11-17-18(22)21(19(24)25-17)15-6-4-5-12(2)9-15/h4-11H,3H2,1-2H3/b17-11+
InChIKeyCIOMYZPAUXYRNY-GZTJUZNOSA-N
MW389.93 g/mol
LogP5.45
Rot. Bonds4

About (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2297312) has the molecular formula C19H16ClNO2S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2297312
Molecular FormulaC19H16ClNO2S2
Molecular Weight389.93 g/mol
Exact Mass389.03
IUPAC Name(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(C)c2)C1=O
InChIInChI=1S/C19H16ClNO2S2/c1-3-23-16-8-7-14(20)10-13(16)11-17-18(22)21(19(24)25-17)15-6-4-5-12(2)9-15/h4-11H,3H2,1-2H3/b17-11+
InChIKeyCIOMYZPAUXYRNY-GZTJUZNOSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 55.45
H-Bond Donors ≤ 50
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'}

Analyze (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-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

(5Z)-3-(4-bromophenyl)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6251665
ethyl 2-[4-[(E)-[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetate
CID 50873229
5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4111455
(5Z)-3-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352227
5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3442600
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126363176
(5Z)-5-[[5-chloro-2-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6143227
(5Z)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126357851
3-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 1201364
3-[(5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 1305503
(5Z)-5-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126348458
(5E)-5-[(2-butoxynaphthalen-1-yl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126336421

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2297312) is (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(C)c2)C1=O.
What is the InChIKey of (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CIOMYZPAUXYRNY-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H16ClNO2S2/c1-3-23-16-8-7-14(20)10-13(16)11-17-18(22)21(19(24)25-17)15-6-4-5-12(2)9-15/h4-11H,3H2,1-2H3/b17-11+.
What are the key properties of (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 389.93 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2297312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).