(5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C17H12Cl2N2O2S — CID 137062843

IUPAC(5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2/S/C(=N/c3cc(Cl)ccc3Cl)NC2=O)c1
InChIInChI=1S/C17H12Cl2N2O2S/c1-23-12-4-2-3-10(7-12)8-15-16(22)21-17(24-15)20-14-9-11(18)5-6-13(14)19/h2-9H,1H3,(H,20,21,22)/b15-8+
InChIKeyCYVBNMNFPXWMFR-OVCLIPMQSA-N
MW379.27 g/mol
LogP4.89
Rot. Bonds3

About (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137062843) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137062843
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name(5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2/S/C(=N/c3cc(Cl)ccc3Cl)NC2=O)c1
InChIInChI=1S/C17H12Cl2N2O2S/c1-23-12-4-2-3-10(7-12)8-15-16(22)21-17(24-15)20-14-9-11(18)5-6-13(14)19/h2-9H,1H3,(H,20,21,22)/b15-8+
InChIKeyCYVBNMNFPXWMFR-OVCLIPMQSA-N
XLogP4.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-(4-chloro-2-nitrophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063445
(5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135478932
(5E)-5-[(3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 136845043
(5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137020566
(5E)-2-(2-chloro-4-nitrophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137020092
(5E)-2-(2,5-dichlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063329
2-(2-chlorophenyl)imino-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135531809
(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 171920717
(5Z)-2-(5-chloro-2-methoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118739
(5Z)-2-(2,4-dimethoxyphenyl)imino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135834922
(5Z)-2-(2-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171983322
(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089500

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137062843) is (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1cccc(/C=C2/S/C(=N/c3cc(Cl)ccc3Cl)NC2=O)c1.
What is the InChIKey of (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is CYVBNMNFPXWMFR-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c1-23-12-4-2-3-10(7-12)8-15-16(22)21-17(24-15)20-14-9-11(18)5-6-13(14)19/h2-9H,1H3,(H,20,21,22)/b15-8+.
What are the key properties of (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 379.27 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137062843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).