3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C17H12ClNO3S — CID 2902212

IUPAC3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccccc2O)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNO3S/c18-13-7-5-11(6-8-13)10-19-16(21)15(23-17(19)22)9-12-3-1-2-4-14(12)20/h1-9,20H,10H2
InChIKeyGTIAPWOLZZBYHE-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.28
Rot. Bonds3

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

3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2902212) has the molecular formula C17H12ClNO3S and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2902212
Molecular FormulaC17H12ClNO3S
Molecular Weight345.81 g/mol
Exact Mass345.02
IUPAC Name3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccccc2O)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNO3S/c18-13-7-5-11(6-8-13)10-19-16(21)15(23-17(19)22)9-12-3-1-2-4-14(12)20/h1-9,20H,10H2
InChIKeyGTIAPWOLZZBYHE-UHFFFAOYSA-N
XLogP4.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.28
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-Benzyl-5-(4-hydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
CID 1912931
(5E)-3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1598265
3-Benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 2732432
3-Benzyl-5-(4-hydroxybenzylidene)-2-thioxothiazolidin-4-one
CID 1912930
(5Z)-5-(4-hydroxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
CID 1819993
3-Benzyl-5-(2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 2166814
3-(4-Fluorobenzyl)-5-(2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1229060
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1806963
(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1806966
3-Benzyl-5-(4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 2184355
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 6521921
3-(4-Chlorobenzyl)-5-(2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1231313

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2902212) is 3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1SC(=Cc2ccccc2O)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GTIAPWOLZZBYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3S/c18-13-7-5-11(6-8-13)10-19-16(21)15(23-17(19)22)9-12-3-1-2-4-14(12)20/h1-9,20H,10H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 345.81 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2902212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).