2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H10ClN3O3S — CID 168575175

IUPAC2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2c(O)cc(O)cc2CCl)N1
InChIInChI=1S/C11H10ClN3O3S/c12-3-6-1-7(16)2-9(17)8(6)4-13-15-11-14-10(18)5-19-11/h1-2,4,16-17H,3,5H2,(H,14,15,18)
InChIKeyVWIBHJFWDJSKBY-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.39
Rot. Bonds3

About 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575175) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575175
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2c(O)cc(O)cc2CCl)N1
InChIInChI=1S/C11H10ClN3O3S/c12-3-6-1-7(16)2-9(17)8(6)4-13-15-11-14-10(18)5-19-11/h1-2,4,16-17H,3,5H2,(H,14,15,18)
InChIKeyVWIBHJFWDJSKBY-UHFFFAOYSA-N
XLogP1.39
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-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

2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575165
methyl (2E)-2-[(2Z)-2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172926726
2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573836
2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576426
2-hydroxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzoic acid
CID 168574666
2-[(2,4-dihydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576197
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393
2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135463828
2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575234
(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135615495
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575175) is 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2c(O)cc(O)cc2CCl)N1.
What is the InChIKey of 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is VWIBHJFWDJSKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c12-3-6-1-7(16)2-9(17)8(6)4-13-15-11-14-10(18)5-19-11/h1-2,4,16-17H,3,5H2,(H,14,15,18).
What are the key properties of 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 299.74 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).