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

C23H16ClNO4S — CID 18840263

IUPAC(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C23H16ClNO4S/c24-17-7-5-15(6-8-17)14-29-20-4-2-1-3-16(20)13-21-22(27)25(23(28)30-21)18-9-11-19(26)12-10-18/h1-13,26H,14H2/b21-13-
InChIKeyXWVYUWHMANJJPN-BKUYFWCQSA-N
MW437.90 g/mol
LogP5.87
Rot. Bonds5

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

(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18840263) has the molecular formula C23H16ClNO4S and a molecular weight of 437.90 g/mol. Its IUPAC name is (5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18840263
Molecular FormulaC23H16ClNO4S
Molecular Weight437.90 g/mol
Exact Mass437.05
IUPAC Name(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C23H16ClNO4S/c24-17-7-5-15(6-8-17)14-29-20-4-2-1-3-16(20)13-21-22(27)25(23(28)30-21)18-9-11-19(26)12-10-18/h1-13,26H,14H2/b21-13-
InChIKeyXWVYUWHMANJJPN-BKUYFWCQSA-N
XLogP5.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.90
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[[2-[(E)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126202527
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840887
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840262
3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2860835
(5Z)-3-(3,4-dichlorophenyl)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840885
5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 2867676
5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1363152
4-[[4-bromo-2-[(E)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126195250
(5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126194642
(5E)-3-[(2-bromophenyl)methyl]-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124667517
(5E)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126224732
(5E)-3-(3-chloro-4-fluorophenyl)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2719618

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18840263) is (5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccc(O)cc1.
What is the InChIKey of (5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is XWVYUWHMANJJPN-BKUYFWCQSA-N. The full InChI is InChI=1S/C23H16ClNO4S/c24-17-7-5-15(6-8-17)14-29-20-4-2-1-3-16(20)13-21-22(27)25(23(28)30-21)18-9-11-19(26)12-10-18/h1-13,26H,14H2/b21-13-.
What are the key properties of (5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 437.90 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).