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

C17H13ClN2O2S — CID 16633278

IUPAC(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cc(Cl)ccc2O)C(=O)N1c1ccccc1C
InChIInChI=1S/C17H13ClN2O2S/c1-10-4-2-3-5-13(10)20-16(22)15(23-17(20)19)9-11-8-12(18)6-7-14(11)21/h2-9,19,21H,1H3/b15-9-,19-17-
InChIKeyMAGGPQMMSLILOU-PRUKMKNLSA-N
MW344.82 g/mol
LogP4.41
Rot. Bonds2

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

(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 16633278) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID16633278
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cc(Cl)ccc2O)C(=O)N1c1ccccc1C
InChIInChI=1S/C17H13ClN2O2S/c1-10-4-2-3-5-13(10)20-16(22)15(23-17(20)19)9-11-8-12(18)6-7-14(11)21/h2-9,19,21H,1H3/b15-9-,19-17-
InChIKeyMAGGPQMMSLILOU-PRUKMKNLSA-N
XLogP4.41
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.41
H-Bond Donors ≤ 52
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-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-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

(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633587
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16636931
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 7559354
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16633301
(5Z)-3-(2-methylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836638
(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633566
(5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one
CID 124530777
(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839947
ethyl 4-[(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoate
CID 16633457
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 126086706
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 24590664

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one (CID 16633278) is (5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2cc(Cl)ccc2O)C(=O)N1c1ccccc1C.
What is the InChIKey of (5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is MAGGPQMMSLILOU-PRUKMKNLSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-10-4-2-3-5-13(10)20-16(22)15(23-17(20)19)9-11-8-12(18)6-7-14(11)21/h2-9,19,21H,1H3/b15-9-,19-17-.
What are the key properties of (5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one?
(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 344.82 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-imino-3-(2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).