(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one

C18H15ClN2O2S — CID 46238366

IUPAC(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c1-2-20-18-21(13-6-4-3-5-7-13)17(23)16(24-18)11-12-8-9-15(22)14(19)10-12/h3-11,22H,2H2,1H3/b16-11-,20-18-
InChIKeyPKCGQPQYFAAAAK-JTHVCAJSSA-N
MW358.85 g/mol
LogP4.54
Rot. Bonds3

About (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 46238366) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one
PubChem CID46238366
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c1-2-20-18-21(13-6-4-3-5-7-13)17(23)16(24-18)11-12-8-9-15(22)14(19)10-12/h3-11,22H,2H2,1H3/b16-11-,20-18-
InChIKeyPKCGQPQYFAAAAK-JTHVCAJSSA-N
XLogP4.54
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one (CID 46238366) is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one is CC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is PKCGQPQYFAAAAK-JTHVCAJSSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-2-20-18-21(13-6-4-3-5-7-13)17(23)16(24-18)11-12-8-9-15(22)14(19)10-12/h3-11,22H,2H2,1H3/b16-11-,20-18-.
What are the key properties of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one?
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 358.85 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-ethylimino-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46238366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).