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

C16H8Cl3NO2S — CID 18840531

IUPAC(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H8Cl3NO2S/c17-10-3-5-12(6-4-10)20-15(21)14(23-16(20)22)7-9-1-2-11(18)8-13(9)19/h1-8H/b14-7-
InChIKeyOVOFWFBPZZUNBG-AUWJEWJLSA-N
MW384.67 g/mol
LogP5.89
Rot. Bonds2

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

(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18840531) has the molecular formula C16H8Cl3NO2S and a molecular weight of 384.67 g/mol. Its IUPAC name is (5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18840531
Molecular FormulaC16H8Cl3NO2S
Molecular Weight384.67 g/mol
Exact Mass382.93
IUPAC Name(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H8Cl3NO2S/c17-10-3-5-12(6-4-10)20-15(21)14(23-16(20)22)7-9-1-2-11(18)8-13(9)19/h1-8H/b14-7-
InChIKeyOVOFWFBPZZUNBG-AUWJEWJLSA-N
XLogP5.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.67
LogP ≤ 55.89
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
(5E)-3-(4-chlorophenyl)-5-[(2,4-dichloro-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126205433
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836936
5-[(2,4-dichlorophenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4048302
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-3-(4-chlorophenyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840496
(5Z)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18840547
5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 2867676
5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1355881
3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2860835
5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124664513

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18840531) is (5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is OVOFWFBPZZUNBG-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H8Cl3NO2S/c17-10-3-5-12(6-4-10)20-15(21)14(23-16(20)22)7-9-1-2-11(18)8-13(9)19/h1-8H/b14-7-.
What are the key properties of (5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 384.67 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).