5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

C24H20N2O2S — CID 4067069

IUPAC5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\SC(=Cc2ccc(O)cc2)C(=O)N1c1ccccc1C
InChIInChI=1S/C24H20N2O2S/c1-16-7-3-5-9-20(16)25-24-26(21-10-6-4-8-17(21)2)23(28)22(29-24)15-18-11-13-19(27)14-12-18/h3-15,27H,1-2H3/b22-15?,25-24-
InChIKeyBAJXYNPAUNXZHX-HMKHJHHRSA-N
MW400.50 g/mol
LogP5.82
Rot. Bonds3

About 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 4067069) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID4067069
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\SC(=Cc2ccc(O)cc2)C(=O)N1c1ccccc1C
InChIInChI=1S/C24H20N2O2S/c1-16-7-3-5-9-20(16)25-24-26(21-10-6-4-8-17(21)2)23(28)22(29-24)15-18-11-13-19(27)14-12-18/h3-15,27H,1-2H3/b22-15?,25-24-
InChIKeyBAJXYNPAUNXZHX-HMKHJHHRSA-N
XLogP5.82
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 5073911
methyl 2-[2-methoxy-4-[(Z)-[3-(2-methylphenyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 46886142
(5E)-5-[(4-bromophenyl)methylidene]-3-methyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486839
(5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 102079405
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486949
(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 1382344
(5Z)-5-[[4-hydroxy-3-(trifluoromethyl)phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 162675931
(5Z)-3-(2,6-dimethylphenyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838917
(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 169132782
(5E)-3-methyl-2-(2-methylphenyl)imino-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486785
(5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556773
(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844481

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 4067069) is 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1\SC(=Cc2ccc(O)cc2)C(=O)N1c1ccccc1C.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is BAJXYNPAUNXZHX-HMKHJHHRSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-16-7-3-5-9-20(16)25-24-26(21-10-6-4-8-17(21)2)23(28)22(29-24)15-18-11-13-19(27)14-12-18/h3-15,27H,1-2H3/b22-15?,25-24-.
What are the key properties of 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 400.50 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4067069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).