(5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C24H18ClNO2S3 — CID 46497878

IUPAC(5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccc(OCCSc3ccc(Cl)cc3)c2)SC(=S)N1c1ccccc1
InChIInChI=1S/C24H18ClNO2S3/c25-18-9-11-21(12-10-18)30-14-13-28-20-8-4-5-17(15-20)16-22-23(27)26(24(29)31-22)19-6-2-1-3-7-19/h1-12,15-16H,13-14H2/b22-16-
InChIKeyPAAWPIBWBXLRMC-JWGURIENSA-N
MW484.07 g/mol
LogP6.92
Rot. Bonds7

About (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 46497878) has the molecular formula C24H18ClNO2S3 and a molecular weight of 484.07 g/mol. Its IUPAC name is (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID46497878
Molecular FormulaC24H18ClNO2S3
Molecular Weight484.07 g/mol
Exact Mass483.02
IUPAC Name(5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccc(OCCSc3ccc(Cl)cc3)c2)SC(=S)N1c1ccccc1
InChIInChI=1S/C24H18ClNO2S3/c25-18-9-11-21(12-10-18)30-14-13-28-20-8-4-5-17(15-20)16-22-23(27)26(24(29)31-22)19-6-2-1-3-7-19/h1-12,15-16H,13-14H2/b22-16-
InChIKeyPAAWPIBWBXLRMC-JWGURIENSA-N
XLogP6.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.07
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6520050
(5E)-5-[[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278045
(5Z)-3-(3,4-dichlorophenyl)-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126351101
5-[[3-[3-(4-methylphenoxy)propoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4043050
(5E)-3-(3-bromophenyl)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126203728
(5Z)-3-(3-nitrophenyl)-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126357816
3-(4-chlorophenyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2788993
(5Z)-3-(4-acetylphenyl)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528194
(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-methylsulfanylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126334944
(5E)-3-(3-chloro-4-fluorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126186800
(5E)-3-(4-chlorophenyl)-5-[(4-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2287503
3-[3-[(E)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 27413570

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 46497878) is (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccc(OCCSc3ccc(Cl)cc3)c2)SC(=S)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is PAAWPIBWBXLRMC-JWGURIENSA-N. The full InChI is InChI=1S/C24H18ClNO2S3/c25-18-9-11-21(12-10-18)30-14-13-28-20-8-4-5-17(15-20)16-22-23(27)26(24(29)31-22)19-6-2-1-3-7-19/h1-12,15-16H,13-14H2/b22-16-.
What are the key properties of (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 484.07 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 46497878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).