5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one

C25H21ClN2O4S — CID 135482921

IUPAC5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2/NC(=O)C(=Cc3ccccc3OCc3ccccc3Cl)S2)c(OC)c1
InChIInChI=1S/C25H21ClN2O4S/c1-30-18-11-12-20(22(14-18)31-2)27-25-28-24(29)23(33-25)13-16-7-4-6-10-21(16)32-15-17-8-3-5-9-19(17)26/h3-14H,15H2,1-2H3,(H,27,28,29)
InChIKeyVGUGGWBCTCDKQR-UHFFFAOYSA-N
MW480.97 g/mol
LogP5.83
Rot. Bonds7

About 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one

5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135482921) has the molecular formula C25H21ClN2O4S and a molecular weight of 480.97 g/mol. Its IUPAC name is 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135482921
Molecular FormulaC25H21ClN2O4S
Molecular Weight480.97 g/mol
Exact Mass480.09
IUPAC Name5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2/NC(=O)C(=Cc3ccccc3OCc3ccccc3Cl)S2)c(OC)c1
InChIInChI=1S/C25H21ClN2O4S/c1-30-18-11-12-20(22(14-18)31-2)27-25-28-24(29)23(33-25)13-16-7-4-6-10-21(16)32-15-17-8-3-5-9-19(17)26/h3-14H,15H2,1-2H3,(H,27,28,29)
InChIKeyVGUGGWBCTCDKQR-UHFFFAOYSA-N
XLogP5.83
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.97
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089504
2-(2,4-dimethoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482900
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135834372
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135438909
5-[(2,5-dimethoxyphenyl)methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135482901
(5Z)-2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135518542
(5Z)-2-(5-chloro-2-methoxyphenyl)imino-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137173799
2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486739
2-(3-chloro-2-methylphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135485216
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135844294
(5Z)-2-(2,4-dichlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135535360
(5Z)-5-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137069518

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135482921) is 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/N=C2/NC(=O)C(=Cc3ccccc3OCc3ccccc3Cl)S2)c(OC)c1.
What is the InChIKey of 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is VGUGGWBCTCDKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4S/c1-30-18-11-12-20(22(14-18)31-2)27-25-28-24(29)23(33-25)13-16-7-4-6-10-21(16)32-15-17-8-3-5-9-19(17)26/h3-14H,15H2,1-2H3,(H,27,28,29).
What are the key properties of 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 480.97 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135482921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).