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

C20H19ClN2O2S — CID 24956676

IUPAC(5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H19ClN2O2S/c1-2-3-11-22-20-23(15-7-5-4-6-8-15)19(25)18(26-20)13-14-9-10-17(24)16(21)12-14/h4-10,12-13,24H,2-3,11H2,1H3/b18-13-,22-20-
InChIKeyYAZGIQRTWSIXNW-GTFONSFASA-N
MW386.90 g/mol
LogP5.32
Rot. Bonds5

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

(5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 24956676) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is (5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID24956676
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name(5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H19ClN2O2S/c1-2-3-11-22-20-23(15-7-5-4-6-8-15)19(25)18(26-20)13-14-9-10-17(24)16(21)12-14/h4-10,12-13,24H,2-3,11H2,1H3/b18-13-,22-20-
InChIKeyYAZGIQRTWSIXNW-GTFONSFASA-N
XLogP5.32
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ponesimod
CID 11363176
(Z)-5-((Z)-3-chloro-4-((S)-2,3-dihydroxypropoxy)benzylidene)-2-(propylimino)-3-(o-tolyl)thiazolidin-4-one
CID 11224984
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 24956673
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-phenyl-2-propylimino-thiazolidin-4-one
CID 24956674
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isopropylimino-3-o-tolyl-thiazolidin-4-one
CID 24956675
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chloro-phenyl)-2-isopropyliminothiazolidin-4-one
CID 24957028
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-propylimino-3-o-tolyl-thiazolidin-4-one
CID 24957029
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 24957033
(5Z)-5-[[3-chloro-4-(2,3-dihydroxypropoxy)phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 46237180
5-[(2,3-Dichlorophenyl)methylene]-2-[(4-hydroxyphenyl)methylamino]-1,3-thiazol in-4-one
CID 8010328
rac-(Z,Z)-2-sec-Butylimino-5-(3-chloro-4-hydroxy-benzylidene)-3-phenylthiazolidin-4-one
CID 46236268
(Z,Z)-2-tert-Butylimino-5-(3-chloro-4-hydroxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236269

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 24956676) is (5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one is CCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is YAZGIQRTWSIXNW-GTFONSFASA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-2-3-11-22-20-23(15-7-5-4-6-8-15)19(25)18(26-20)13-14-9-10-17(24)16(21)12-14/h4-10,12-13,24H,2-3,11H2,1H3/b18-13-,22-20-.
What are the key properties of (5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
(5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 386.90 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-butylimino-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 24956676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).