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

C25H20ClNO4S — CID 18839679

IUPAC(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C25H20ClNO4S/c1-2-30-20-13-11-19(12-14-20)27-24(28)23(32-25(27)29)15-17-7-4-6-10-22(17)31-16-18-8-3-5-9-21(18)26/h3-15H,2,16H2,1H3/b23-15-
InChIKeyJBIXWWQZUOREAE-HAHDFKILSA-N
MW465.96 g/mol
LogP6.56
Rot. Bonds7

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

(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18839679) has the molecular formula C25H20ClNO4S and a molecular weight of 465.96 g/mol. Its IUPAC name is (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18839679
Molecular FormulaC25H20ClNO4S
Molecular Weight465.96 g/mol
Exact Mass465.08
IUPAC Name(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C25H20ClNO4S/c1-2-30-20-13-11-19(12-14-20)27-24(28)23(32-25(27)29)15-17-7-4-6-10-22(17)31-16-18-8-3-5-9-21(18)26/h3-15H,2,16H2,1H3/b23-15-
InChIKeyJBIXWWQZUOREAE-HAHDFKILSA-N
XLogP6.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 56.56
H-Bond Donors ≤ 50
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

(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840262
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836896
(5E)-5-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126196738
(5E)-5-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126197258
5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514511
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126063349
2-[(5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 126134324
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840263
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837290
(5Z)-3-(4-butylphenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18837107
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
N-[4-[(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 18840994

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18839679) is (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is CCOc1ccc(N2C(=O)S/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1.
What is the InChIKey of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is JBIXWWQZUOREAE-HAHDFKILSA-N. The full InChI is InChI=1S/C25H20ClNO4S/c1-2-30-20-13-11-19(12-14-20)27-24(28)23(32-25(27)29)15-17-7-4-6-10-22(17)31-16-18-8-3-5-9-21(18)26/h3-15H,2,16H2,1H3/b23-15-.
What are the key properties of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 465.96 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18839679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).