(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C18H15NO3S — CID 18839947

IUPAC(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(N2C(=O)S/C(=C\c3ccccc3O)C2=O)c1
InChIInChI=1S/C18H15NO3S/c1-11-7-8-12(2)14(9-11)19-17(21)16(23-18(19)22)10-13-5-3-4-6-15(13)20/h3-10,20H,1-2H3/b16-10-
InChIKeyKOAOBTRNTLMHLA-YBEGLDIGSA-N
MW325.39 g/mol
LogP4.25
Rot. Bonds2

About (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18839947) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18839947
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(N2C(=O)S/C(=C\c3ccccc3O)C2=O)c1
InChIInChI=1S/C18H15NO3S/c1-11-7-8-12(2)14(9-11)19-17(21)16(23-18(19)22)10-13-5-3-4-6-15(13)20/h3-10,20H,1-2H3/b16-10-
InChIKeyKOAOBTRNTLMHLA-YBEGLDIGSA-N
XLogP4.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514280
(5Z)-3-(2-methylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836638
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18840004
(5Z)-3-(3-hydroxyphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6200643
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 7559354
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17384678
(5E)-5-[(2-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 28922645
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 19260734
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18840045
(5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839883
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
CID 18840568
5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1355881

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18839947) is (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(C)c(N2C(=O)S/C(=C\c3ccccc3O)C2=O)c1.
What is the InChIKey of (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is KOAOBTRNTLMHLA-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-11-7-8-12(2)14(9-11)19-17(21)16(23-18(19)22)10-13-5-3-4-6-15(13)20/h3-10,20H,1-2H3/b16-10-.
What are the key properties of (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 325.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18839947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).