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

C18H15IN2O2S — CID 137050256

IUPAC(5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(O)c(I)c3)S2)c1C
InChIInChI=1S/C18H15IN2O2S/c1-10-4-3-5-14(11(10)2)20-18-21-17(23)16(24-18)9-12-6-7-15(22)13(19)8-12/h3-9,22H,1-2H3,(H,20,21,23)/b16-9-
InChIKeySDGVZHCGTSKCDG-SXGWCWSVSA-N
MW450.30 g/mol
LogP4.51
Rot. Bonds2

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

(5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137050256) has the molecular formula C18H15IN2O2S and a molecular weight of 450.30 g/mol. Its IUPAC name is (5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137050256
Molecular FormulaC18H15IN2O2S
Molecular Weight450.30 g/mol
Exact Mass449.99
IUPAC Name(5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(O)c(I)c3)S2)c1C
InChIInChI=1S/C18H15IN2O2S/c1-10-4-3-5-14(11(10)2)20-18-21-17(23)16(24-18)9-12-6-7-15(22)13(19)8-12/h3-9,22H,1-2H3,(H,20,21,23)/b16-9-
InChIKeySDGVZHCGTSKCDG-SXGWCWSVSA-N
XLogP4.51
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.30
LogP ≤ 54.51
H-Bond Donors ≤ 52
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-(3-chloro-2-methylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135781845
2-(2,3-dimethylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135491592
2-(2,3-dimethylphenyl)imino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135481643
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135426157
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2-(2-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135539318
2-(3-chloro-2-methylphenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135452699
(5E)-2-(2,3-dimethylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745009
(5Z)-2-(2,3-dimethylphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135518517
2-[4-[(Z)-[2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 137100119
(5E)-2-(2,4-dimethylphenyl)imino-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137089498
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135766066
(5Z)-2-(2,3-dimethylphenyl)imino-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137120416

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one (CID 137050256) is (5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one is Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(O)c(I)c3)S2)c1C.
What is the InChIKey of (5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is SDGVZHCGTSKCDG-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H15IN2O2S/c1-10-4-3-5-14(11(10)2)20-18-21-17(23)16(24-18)9-12-6-7-15(22)13(19)8-12/h3-9,22H,1-2H3,(H,20,21,23)/b16-9-.
What are the key properties of (5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 450.30 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137050256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).