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

C16H16Cl2N2O2S2 — CID 24564696

IUPAC(5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CCN1CCOCC1
InChIInChI=1S/C16H16Cl2N2O2S2/c17-12-3-1-2-11(14(12)18)10-13-15(21)20(16(23)24-13)5-4-19-6-8-22-9-7-19/h1-3,10H,4-9H2/b13-10-
InChIKeyDWVFUIFAAMOOQO-RAXLEYEMSA-N
MW403.36 g/mol
LogP3.53
Rot. Bonds4

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

(5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 24564696) has the molecular formula C16H16Cl2N2O2S2 and a molecular weight of 403.36 g/mol. Its IUPAC name is (5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID24564696
Molecular FormulaC16H16Cl2N2O2S2
Molecular Weight403.36 g/mol
Exact Mass402.00
IUPAC Name(5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CCN1CCOCC1
InChIInChI=1S/C16H16Cl2N2O2S2/c17-12-3-1-2-11(14(12)18)10-13-15(21)20(16(23)24-13)5-4-19-6-8-22-9-7-19/h1-3,10H,4-9H2/b13-10-
InChIKeyDWVFUIFAAMOOQO-RAXLEYEMSA-N
XLogP3.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2262951
(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17470474
2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 2854137
(5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 16633078
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1348910
2-[[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]acetic acid
CID 16629347
5-[(1-methylindol-3-yl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3878410
4-[4-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]butanoic acid
CID 16630544
3-(3-morpholin-4-ylpropyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3951779
(5Z)-5-[(4-bromo-2-fluorophenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17471050
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 27409281
6-[4-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]hexanoic acid
CID 16630513

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 24564696) is (5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CCN1CCOCC1.
What is the InChIKey of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is DWVFUIFAAMOOQO-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2S2/c17-12-3-1-2-11(14(12)18)10-13-15(21)20(16(23)24-13)5-4-19-6-8-22-9-7-19/h1-3,10H,4-9H2/b13-10-.
What are the key properties of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 403.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 24564696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).