5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C18H11Cl2NOS2 — CID 2924095

IUPAC5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=CC=Cc2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2NOS2/c19-13-9-10-15(14(20)11-13)21-17(22)16(24-18(21)23)8-4-7-12-5-2-1-3-6-12/h1-11H
InChIKeySSGFHSUVGYDMBC-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.96
Rot. Bonds3

About 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2924095) has the molecular formula C18H11Cl2NOS2 and a molecular weight of 392.33 g/mol. Its IUPAC name is 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2924095
Molecular FormulaC18H11Cl2NOS2
Molecular Weight392.33 g/mol
Exact Mass390.97
IUPAC Name5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=CC=Cc2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2NOS2/c19-13-9-10-15(14(20)11-13)21-17(22)16(24-18(21)23)8-4-7-12-5-2-1-3-6-12/h1-11H
InChIKeySSGFHSUVGYDMBC-UHFFFAOYSA-N
XLogP5.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-cinnamylidene-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1329065
(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 99902605
(5Z)-3-(3-chloro-4-methoxyphenyl)-5-[(Z)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126335426
(5E)-3-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2299220
(5Z)-3-(2,5-dihydroxy-1-phenylpyrrol-3-yl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 91898020
N-(2,4-dichlorophenyl)-2-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 6531517
(5E)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1202270
(5E)-3-(3-hydroxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2046336
5-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid
CID 4760584
(5Z)-3-(2,4-dichlorophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2296840
3-ethyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1350634
5-cinnamylidene-3-[6-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4629427

Frequently Asked Questions

What is the IUPAC name of 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2924095) is 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1C(=CC=Cc2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is SSGFHSUVGYDMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NOS2/c19-13-9-10-15(14(20)11-13)21-17(22)16(24-18(21)23)8-4-7-12-5-2-1-3-6-12/h1-11H.
What are the key properties of 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 392.33 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cinnamylidene-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2924095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).