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

C16H10ClNO3S — CID 2867676

IUPAC5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccccc2Cl)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C16H10ClNO3S/c17-13-4-2-1-3-10(13)9-14-15(20)18(16(21)22-14)11-5-7-12(19)8-6-11/h1-9,19H
InChIKeyYXUKVFZVBCRIGF-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.29
Rot. Bonds2

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

5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 2867676) has the molecular formula C16H10ClNO3S and a molecular weight of 331.78 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID2867676
Molecular FormulaC16H10ClNO3S
Molecular Weight331.78 g/mol
Exact Mass331.01
IUPAC Name5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccccc2Cl)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C16H10ClNO3S/c17-13-4-2-1-3-10(13)9-14-15(20)18(16(21)22-14)11-5-7-12(19)8-6-11/h1-9,19H
InChIKeyYXUKVFZVBCRIGF-UHFFFAOYSA-N
XLogP4.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.29
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

5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1355881
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840262
(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2262190
5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1362614
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840263
3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2856052
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 7559354
(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840531
(5Z)-3-(3-hydroxyphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6200643
(5Z)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18840547
4-[5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 4761901
(5E)-3-(4-chlorophenyl)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126195160

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione (CID 2867676) is 5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione is O=C1SC(=Cc2ccccc2Cl)C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is YXUKVFZVBCRIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3S/c17-13-4-2-1-3-10(13)9-14-15(20)18(16(21)22-14)11-5-7-12(19)8-6-11/h1-9,19H.
What are the key properties of 5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione?
5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 331.78 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2867676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).