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

C16H10ClNO2S — CID 3746545

IUPAC5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H10ClNO2S/c17-12-8-6-11(7-9-12)10-14-15(19)18(16(20)21-14)13-4-2-1-3-5-13/h1-10H
InChIKeyYKXUVHMVQAWLHN-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.58
Rot. Bonds2

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

5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 3746545) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID3746545
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC Name5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H10ClNO2S/c17-12-8-6-11(7-9-12)10-14-15(19)18(16(20)21-14)13-4-2-1-3-5-13/h1-10H
InChIKeyYKXUVHMVQAWLHN-UHFFFAOYSA-N
XLogP4.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2861714
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251768
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836767
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
(5E)-3-(4-chlorophenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126194305
(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 126310080
4-[[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763223
(5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 126196318
(5Z)-3-(4-chlorophenyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840496
(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126360800
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-3-(4-butylphenyl)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837134

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 3746545) is 5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is O=C1SC(=Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is YKXUVHMVQAWLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-12-8-6-11(7-9-12)10-14-15(19)18(16(20)21-14)13-4-2-1-3-5-13/h1-10H.
What are the key properties of 5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 315.78 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3746545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).