(5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C24H26N4O2S2 — CID 19119351

IUPAC(5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1
InChIInChI=1S/C24H26N4O2S2/c1-18-5-7-19(8-6-18)16-21-23(30)28(24(31)32-21)17-22(29)27-14-12-26(13-15-27)11-9-20-4-2-3-10-25-20/h2-8,10,16H,9,11-15,17H2,1H3/b21-16-
InChIKeyFAXOFYIOZKPTKG-PGMHBOJBSA-N
MW466.63 g/mol
LogP2.98
Rot. Bonds6

About (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 19119351) has the molecular formula C24H26N4O2S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID19119351
Molecular FormulaC24H26N4O2S2
Molecular Weight466.63 g/mol
Exact Mass466.15
IUPAC Name(5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1
InChIInChI=1S/C24H26N4O2S2/c1-18-5-7-19(8-6-18)16-21-23(30)28(24(31)32-21)17-22(29)27-14-12-26(13-15-27)11-9-20-4-2-3-10-25-20/h2-8,10,16H,9,11-15,17H2,1H3/b21-16-
InChIKeyFAXOFYIOZKPTKG-PGMHBOJBSA-N
XLogP2.98
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2894096
(5Z)-3-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 19119348
(5Z)-5-[(4-methylphenyl)methylidene]-3-[3-[4-[3-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperazin-1-yl]-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6072651
(5Z)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1344084
5-benzylidene-3-(2-oxo-2-piperidin-1-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4755559
(5Z)-5-[(4-methylphenyl)methylidene]-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1419152
ethyl 4-[2-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 6201740
3-[4-(azepan-1-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4762435
(5Z)-5-benzylidene-3-(pyridin-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23630442
(5E)-5-[(4-ethoxyphenyl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1370654
(5Z)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5350093
5-[(4-methylphenyl)methylidene]-3-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3718724

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 19119351) is (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FAXOFYIOZKPTKG-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H26N4O2S2/c1-18-5-7-19(8-6-18)16-21-23(30)28(24(31)32-21)17-22(29)27-14-12-26(13-15-27)11-9-20-4-2-3-10-25-20/h2-8,10,16H,9,11-15,17H2,1H3/b21-16-.
What are the key properties of (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 466.63 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 19119351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).