(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione

C23H14Cl3NO3S — CID 18840889

IUPAC(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H14Cl3NO3S/c24-16-6-4-14(5-7-16)13-30-18-3-1-2-15(10-18)11-21-22(28)27(23(29)31-21)17-8-9-19(25)20(26)12-17/h1-12H,13H2/b21-11-
InChIKeyZZECXJFDRGVZHB-NHDPSOOVSA-N
MW490.80 g/mol
LogP7.47
Rot. Bonds5

About (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18840889) has the molecular formula C23H14Cl3NO3S and a molecular weight of 490.80 g/mol. Its IUPAC name is (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18840889
Molecular FormulaC23H14Cl3NO3S
Molecular Weight490.80 g/mol
Exact Mass488.98
IUPAC Name(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H14Cl3NO3S/c24-16-6-4-14(5-7-16)13-30-18-3-1-2-15(10-18)11-21-22(28)27(23(29)31-21)17-8-9-19(25)20(26)12-17/h1-12H,13H2/b21-11-
InChIKeyZZECXJFDRGVZHB-NHDPSOOVSA-N
XLogP7.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.80
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(4-chlorophenyl)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840509
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18837002
2-[3-[(E)-[3-(3,4-dichlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 1327193
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840172
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836899
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839966
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840887
(5E)-3-(3-bromophenyl)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126203728
(5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840264
(5Z)-3-(4-methoxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18837383
(5Z)-3-(4-chlorophenyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840496
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2719979

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione (CID 18840889) is (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is ZZECXJFDRGVZHB-NHDPSOOVSA-N. The full InChI is InChI=1S/C23H14Cl3NO3S/c24-16-6-4-14(5-7-16)13-30-18-3-1-2-15(10-18)11-21-22(28)27(23(29)31-21)17-8-9-19(25)20(26)12-17/h1-12H,13H2/b21-11-.
What are the key properties of (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 490.80 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).