(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C24H16Cl2FNO3S — CID 6020042

IUPAC(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C24H16Cl2FNO3S/c25-17-8-4-16(5-9-17)14-31-18-10-6-15(7-11-18)12-22-23(29)28(24(30)32-22)13-19-20(26)2-1-3-21(19)27/h1-12H,13-14H2/b22-12+
InChIKeyCUWAXSHIAYEQLU-WSDLNYQXSA-N
MW488.37 g/mol
LogP6.95
Rot. Bonds6

About (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6020042) has the molecular formula C24H16Cl2FNO3S and a molecular weight of 488.37 g/mol. Its IUPAC name is (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6020042
Molecular FormulaC24H16Cl2FNO3S
Molecular Weight488.37 g/mol
Exact Mass487.02
IUPAC Name(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C24H16Cl2FNO3S/c25-17-8-4-16(5-9-17)14-31-18-10-6-15(7-11-18)12-22-23(29)28(24(30)32-22)13-19-20(26)2-1-3-21(19)27/h1-12H,13-14H2/b22-12+
InChIKeyCUWAXSHIAYEQLU-WSDLNYQXSA-N
XLogP6.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.37
LogP ≤ 56.95
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-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2720008
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 5085008
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2719979
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124640727
3-[(4-chlorophenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4070946
5-[(4-bromophenyl)methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3353219
(5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376666
(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124666212
3-[(4-chlorophenyl)methyl]-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3532207
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124668050
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1499332
(5E)-3-[(2,6-dichlorophenyl)methyl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2719957

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 6020042) is (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1c(F)cccc1Cl.
What is the InChIKey of (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CUWAXSHIAYEQLU-WSDLNYQXSA-N. The full InChI is InChI=1S/C24H16Cl2FNO3S/c25-17-8-4-16(5-9-17)14-31-18-10-6-15(7-11-18)12-22-23(29)28(24(30)32-22)13-19-20(26)2-1-3-21(19)27/h1-12H,13-14H2/b22-12+.
What are the key properties of (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 488.37 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6020042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).