(5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C27H19IN2O2S — CID 137063072

IUPAC(5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(I)c2)S/C1=C/c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C27H19IN2O2S/c28-21-8-4-9-22(16-21)29-27-30-26(31)25(33-27)15-18-11-13-23(14-12-18)32-17-20-7-3-6-19-5-1-2-10-24(19)20/h1-16H,17H2,(H,29,30,31)/b25-15+
InChIKeyMBMQGKGBQACMMX-MFKUBSTISA-N
MW562.43 g/mol
LogP6.91
Rot. Bonds5

About (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

(5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 137063072) has the molecular formula C27H19IN2O2S and a molecular weight of 562.43 g/mol. Its IUPAC name is (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID137063072
Molecular FormulaC27H19IN2O2S
Molecular Weight562.43 g/mol
Exact Mass562.02
IUPAC Name(5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(I)c2)S/C1=C/c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C27H19IN2O2S/c28-21-8-4-9-22(16-21)29-27-30-26(31)25(33-27)15-18-11-13-23(14-12-18)32-17-20-7-3-6-19-5-1-2-10-24(19)20/h1-16H,17H2,(H,29,30,31)/b25-15+
InChIKeyMBMQGKGBQACMMX-MFKUBSTISA-N
XLogP6.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.43
LogP ≤ 56.91
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

(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137062950
(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137101707
(5E)-2-(4-fluorophenyl)imino-5-[[3-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137081058
(5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 136738011
2-(4-chlorophenyl)imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135447081
(5Z)-5-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137075043
2-(3-iodophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 165344731
(5E)-2-(3-chlorophenyl)imino-5-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137062766
(5Z)-2-(3-bromophenyl)imino-5-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135642613
(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063492
(5Z)-2-(4-bromophenyl)imino-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137020426
(5E)-2-(3-iodophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063025

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 137063072) is (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccc(I)c2)S/C1=C/c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is MBMQGKGBQACMMX-MFKUBSTISA-N. The full InChI is InChI=1S/C27H19IN2O2S/c28-21-8-4-9-22(16-21)29-27-30-26(31)25(33-27)15-18-11-13-23(14-12-18)32-17-20-7-3-6-19-5-1-2-10-24(19)20/h1-16H,17H2,(H,29,30,31)/b25-15+.
What are the key properties of (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 562.43 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137063072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).