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

C19H17ClN2O2S — CID 24956674

IUPAC(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one
SMILESCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c1-2-10-21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)12-13-8-9-16(23)15(20)11-13/h3-9,11-12,23H,2,10H2,1H3/b17-12-,21-19-
InChIKeyNYIGDJNZIIRUIZ-WJCPARMISA-N
MW372.88 g/mol
LogP4.93
Rot. Bonds4

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

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one (PubChem CID 24956674) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one
PubChem CID24956674
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one
SMILESCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c1-2-10-21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)12-13-8-9-16(23)15(20)11-13/h3-9,11-12,23H,2,10H2,1H3/b17-12-,21-19-
InChIKeyNYIGDJNZIIRUIZ-WJCPARMISA-N
XLogP4.93
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.93
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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Related Compounds

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
CID 46238365
(5Z)-2-butylimino-5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 11441818
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46236404
(5Z)-5-[[4-hydroxy-3-(trifluoromethyl)phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 162675931
5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
CID 72569161
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chloro-4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46236523
5-[[3-chloro-4-[(2S)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 162342648
(5E)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 96895197
5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 1231613
(5Z)-5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 11751166
(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 6863533
(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 169132782

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one (CID 24956674) is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one is CCC/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]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one?
The InChIKey is NYIGDJNZIIRUIZ-WJCPARMISA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-2-10-21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)12-13-8-9-16(23)15(20)11-13/h3-9,11-12,23H,2,10H2,1H3/b17-12-,21-19-.
What are the key properties of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one has a molecular weight of 372.88 g/mol, XLogP of 4.93, 4 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]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 24956674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).