(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one

C17H12Cl2N2O2S — CID 8010328

IUPAC(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1)c1ccc(O)cc1
InChIInChI=1S/C17H12Cl2N2O2S/c1-21(11-5-7-12(22)8-6-11)17-20-16(23)14(24-17)9-10-3-2-4-13(18)15(10)19/h2-9,22H,1H3/b14-9-
InChIKeyTWUVRAZKHLCVTB-ZROIWOOFSA-N
MW379.27 g/mol
LogP4.81
Rot. Bonds2

About (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one

(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one (PubChem CID 8010328) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one
PubChem CID8010328
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1)c1ccc(O)cc1
InChIInChI=1S/C17H12Cl2N2O2S/c1-21(11-5-7-12(22)8-6-11)17-20-16(23)14(24-17)9-10-3-2-4-13(18)15(10)19/h2-9,22H,1H3/b14-9-
InChIKeyTWUVRAZKHLCVTB-ZROIWOOFSA-N
XLogP4.81
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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)-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
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-propylimino-3-o-tolyl-thiazolidin-4-one
CID 24957029
(5Z)-2-(4-hydroxy-N-methylanilino)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazol-4-one
CID 1181853
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
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chloro-2-methyl-phenyl)-2-isopropylimino-thiazolidin-4-one
CID 46236522
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chloro-4-methyl-phenyl)-2-isopropylimino-thiazolidin-4-one
CID 46236523
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-methylimino-3-phenyl-thiazolidin-4-one
CID 46238365
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-ethylimino-3-phenyl-thiazolidin-4-one
CID 46238366

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one (CID 8010328) is (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one is CN(C1=NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1)c1ccc(O)cc1.
What is the InChIKey of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one?
The InChIKey is TWUVRAZKHLCVTB-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c1-21(11-5-7-12(22)8-6-11)17-20-16(23)14(24-17)9-10-3-2-4-13(18)15(10)19/h2-9,22H,1H3/b14-9-.
What are the key properties of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one?
(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one has a molecular weight of 379.27 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one is sourced from PubChem (CID 8010328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).