2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one

C9H6Cl2N2OS — CID 135490047

IUPAC2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2c(Cl)cccc2Cl)N1
InChIInChI=1S/C9H6Cl2N2OS/c10-5-2-1-3-6(11)8(5)13-9-12-7(14)4-15-9/h1-3H,4H2,(H,12,13,14)
InChIKeyLBQASGLFPCNRNA-UHFFFAOYSA-N
MW261.13 g/mol
LogP2.84
Rot. Bonds1

About 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135490047) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135490047
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2c(Cl)cccc2Cl)N1
InChIInChI=1S/C9H6Cl2N2OS/c10-5-2-1-3-6(11)8(5)13-9-12-7(14)4-15-9/h1-3H,4H2,(H,12,13,14)
InChIKeyLBQASGLFPCNRNA-UHFFFAOYSA-N
XLogP2.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286
2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135468637
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172918415
(2E)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135760186
(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one
CID 155811958
2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one
CID 172639911
3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
CID 154441871
(2E)-2-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 135959417
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573992
(5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one
CID 135443319
2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576171

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one (CID 135490047) is 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2c(Cl)cccc2Cl)N1.
What is the InChIKey of 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is LBQASGLFPCNRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c10-5-2-1-3-6(11)8(5)13-9-12-7(14)4-15-9/h1-3H,4H2,(H,12,13,14).
What are the key properties of 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 261.13 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135490047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).