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

C20H19ClN2O2S — CID 24957029

IUPAC(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
SMILESCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C
InChIInChI=1S/C20H19ClN2O2S/c1-3-10-22-20-23(16-7-5-4-6-13(16)2)19(25)18(26-20)12-14-8-9-17(24)15(21)11-14/h4-9,11-12,24H,3,10H2,1-2H3/b18-12-,22-20-
InChIKeyBQKSAYBFUIEOBO-JLZFKDTQSA-N
MW386.90 g/mol
LogP5.24
Rot. Bonds4

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

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one (PubChem CID 24957029) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
PubChem CID24957029
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
SMILESCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C
InChIInChI=1S/C20H19ClN2O2S/c1-3-10-22-20-23(16-7-5-4-6-13(16)2)19(25)18(26-20)12-14-8-9-17(24)15(21)11-14/h4-9,11-12,24H,3,10H2,1-2H3/b18-12-,22-20-
InChIKeyBQKSAYBFUIEOBO-JLZFKDTQSA-N
XLogP5.24
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.24
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'}

Analyze (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one with MolForge

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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)-2-Butylimino-5-(3-chloro-4-hydroxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 24956676
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chloro-phenyl)-2-isopropyliminothiazolidin-4-one
CID 24957028
(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)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one (CID 24957029) is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one is CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C.
What is the InChIKey of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?
The InChIKey is BQKSAYBFUIEOBO-JLZFKDTQSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-3-10-22-20-23(16-7-5-4-6-13(16)2)19(25)18(26-20)12-14-8-9-17(24)15(21)11-14/h4-9,11-12,24H,3,10H2,1-2H3/b18-12-,22-20-.
What are the key properties of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one has a molecular weight of 386.90 g/mol, XLogP of 5.24, 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-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 24957029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).