(5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C20H15NO2S2 — CID 6368576

IUPAC(5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1
InChIInChI=1S/C20H15NO2S2/c1-14-10-12-16(13-11-14)18(22)21-19(23)17(25-20(21)24)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5+,17-9-
InChIKeyZKEIFWXXXHEPHS-WIXUPIFPSA-N
MW365.48 g/mol
LogP4.59
Rot. Bonds3

About (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6368576) has the molecular formula C20H15NO2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6368576
Molecular FormulaC20H15NO2S2
Molecular Weight365.48 g/mol
Exact Mass365.05
IUPAC Name(5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1
InChIInChI=1S/C20H15NO2S2/c1-14-10-12-16(13-11-14)18(22)21-19(23)17(25-20(21)24)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5+,17-9-
InChIKeyZKEIFWXXXHEPHS-WIXUPIFPSA-N
XLogP4.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.59
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': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-benzoyl-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 569929
5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3641803
2-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
CID 2866451
4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 2046278
ethyl 2-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate
CID 1383933
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
5-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid
CID 4760584
ethyl 2-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 19183245
5-cinnamylidene-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3545708
5-[(2,4-dichlorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 171132384
2-methyl-5-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 6206745

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6368576) is (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccc(C(=O)N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1.
What is the InChIKey of (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZKEIFWXXXHEPHS-WIXUPIFPSA-N. The full InChI is InChI=1S/C20H15NO2S2/c1-14-10-12-16(13-11-14)18(22)21-19(23)17(25-20(21)24)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5+,17-9-.
What are the key properties of (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 365.48 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6368576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).