5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C14H15IN2O2S — CID 4680697

IUPAC5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C=C2S/C(=N/C)N(C)C2=O)cc1I
InChIInChI=1S/C14H15IN2O2S/c1-4-19-11-6-5-9(7-10(11)15)8-12-13(18)17(3)14(16-2)20-12/h5-8H,4H2,1-3H3/b12-8?,16-14+
InChIKeyCPDJRJABMXMGHD-OUWHYCBKSA-N
MW402.26 g/mol
LogP3.22
Rot. Bonds3

About 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 4680697) has the molecular formula C14H15IN2O2S and a molecular weight of 402.26 g/mol. Its IUPAC name is 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID4680697
Molecular FormulaC14H15IN2O2S
Molecular Weight402.26 g/mol
Exact Mass401.99
IUPAC Name5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C=C2S/C(=N/C)N(C)C2=O)cc1I
InChIInChI=1S/C14H15IN2O2S/c1-4-19-11-6-5-9(7-10(11)15)8-12-13(18)17(3)14(16-2)20-12/h5-8H,4H2,1-3H3/b12-8?,16-14+
InChIKeyCPDJRJABMXMGHD-OUWHYCBKSA-N
XLogP3.22
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
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)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 124532179
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485816
(5Z)-2-(4-chlorophenyl)imino-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 1228744
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486781
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1233236
5-[(3-ethoxy-4-propoxyphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 2936569
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485057
(2E,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841730
(5E)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 86578975
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 27437604
(5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137100183
(5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 124532234

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 4680697) is 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is CCOc1ccc(C=C2S/C(=N/C)N(C)C2=O)cc1I.
What is the InChIKey of 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is CPDJRJABMXMGHD-OUWHYCBKSA-N. The full InChI is InChI=1S/C14H15IN2O2S/c1-4-19-11-6-5-9(7-10(11)15)8-12-13(18)17(3)14(16-2)20-12/h5-8H,4H2,1-3H3/b12-8?,16-14+.
What are the key properties of 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 402.26 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4680697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).