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

C18H15IN2O2S — CID 137065155

IUPAC(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(I)cc3)S2)cc1
InChIInChI=1S/C18H15IN2O2S/c1-2-23-15-9-7-14(8-10-15)20-18-21-17(22)16(24-18)11-12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,21,22)/b16-11-
InChIKeyWLKXEWAPCRWDSS-WJDWOHSUSA-N
MW450.30 g/mol
LogP4.58
Rot. Bonds4

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

(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137065155) has the molecular formula C18H15IN2O2S and a molecular weight of 450.30 g/mol. Its IUPAC name is (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137065155
Molecular FormulaC18H15IN2O2S
Molecular Weight450.30 g/mol
Exact Mass449.99
IUPAC Name(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(I)cc3)S2)cc1
InChIInChI=1S/C18H15IN2O2S/c1-2-23-15-9-7-14(8-10-15)20-18-21-17(22)16(24-18)11-12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,21,22)/b16-11-
InChIKeyWLKXEWAPCRWDSS-WJDWOHSUSA-N
XLogP4.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.30
LogP ≤ 54.58
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

(5Z)-2-(4-ethylphenyl)imino-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137020557
5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135420449
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
2-[4-[(E)-[2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 137062918
(5Z)-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137121234
2-[4-[[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 135423622
(5E)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139414
(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137064014
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135420895
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135645883
(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063495
(5Z)-2-(3,5-dimethylphenyl)imino-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137120643

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one (CID 137065155) is (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one is CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(I)cc3)S2)cc1.
What is the InChIKey of (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is WLKXEWAPCRWDSS-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15IN2O2S/c1-2-23-15-9-7-14(8-10-15)20-18-21-17(22)16(24-18)11-12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,21,22)/b16-11-.
What are the key properties of (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 450.30 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137065155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).