(5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one

C18H14ClIN2O2S — CID 137100183

IUPAC(5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1I
InChIInChI=1S/C18H14ClIN2O2S/c1-2-24-15-8-3-11(9-14(15)20)10-16-17(23)22-18(25-16)21-13-6-4-12(19)5-7-13/h3-10H,2H2,1H3,(H,21,22,23)/b16-10-
InChIKeyHSIUOSAETKDBCO-YBEGLDIGSA-N
MW484.75 g/mol
LogP5.23
Rot. Bonds4

About (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137100183) has the molecular formula C18H14ClIN2O2S and a molecular weight of 484.75 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137100183
Molecular FormulaC18H14ClIN2O2S
Molecular Weight484.75 g/mol
Exact Mass483.95
IUPAC Name(5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1I
InChIInChI=1S/C18H14ClIN2O2S/c1-2-24-15-8-3-11(9-14(15)20)10-16-17(23)22-18(25-16)21-13-6-4-12(19)5-7-13/h3-10H,2H2,1H3,(H,21,22,23)/b16-10-
InChIKeyHSIUOSAETKDBCO-YBEGLDIGSA-N
XLogP5.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.75
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 137060807
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135733044
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodophenyl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 137024922
5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135487034
ethyl 2-[4-[(E)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodophenoxy]acetate
CID 137024933
(5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137119009
(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137064014
(5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137074623
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137051044
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137070108
(5Z)-5-[(3-chloro-4-methoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137075264
(5Z)-5-[(3,4-diethoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137137180

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one (CID 137100183) is (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one is CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1I.
What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is HSIUOSAETKDBCO-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H14ClIN2O2S/c1-2-24-15-8-3-11(9-14(15)20)10-16-17(23)22-18(25-16)21-13-6-4-12(19)5-7-13/h3-10H,2H2,1H3,(H,21,22,23)/b16-10-.
What are the key properties of (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 484.75 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137100183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).