5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one

C16H11Cl2N3O2S — CID 136600364

IUPAC5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESNc1ccc(C=C2S/C(=N\c3c(Cl)cccc3Cl)NC2=O)cc1O
InChIInChI=1S/C16H11Cl2N3O2S/c17-9-2-1-3-10(18)14(9)20-16-21-15(23)13(24-16)7-8-4-5-11(19)12(22)6-8/h1-7,22H,19H2,(H,20,21,23)
InChIKeyNLEVTECCNXVIJX-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.17
Rot. Bonds2

About 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one

5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 136600364) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID136600364
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESNc1ccc(C=C2S/C(=N\c3c(Cl)cccc3Cl)NC2=O)cc1O
InChIInChI=1S/C16H11Cl2N3O2S/c17-9-2-1-3-10(18)14(9)20-16-21-15(23)13(24-16)7-8-4-5-11(19)12(22)6-8/h1-7,22H,19H2,(H,20,21,23)
InChIKeyNLEVTECCNXVIJX-UHFFFAOYSA-N
XLogP4.17
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135524001
sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride
CID 173098108
(5E)-5-[(3-chloro-4,5-dihydroxyphenyl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135717690
(5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135745028
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carboxylic acid
CID 136623567
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,2,4-benzotriazine-3-carboxylic acid
CID 136648427
(5Z)-2-(2-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171983322
(5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-nitrosophenyl)methylidene]-1,3-thiazolidin-4-one
CID 143537188
(5E)-2-(2-chlorophenyl)imino-5-[(3-fluoro-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135745031
5-[(8-chloroquinolin-6-yl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136655560
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2-(2-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135539318
(5E)-5-[(3-chlorophenyl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841124

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one (CID 136600364) is 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one is Nc1ccc(C=C2S/C(=N\c3c(Cl)cccc3Cl)NC2=O)cc1O.
What is the InChIKey of 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is NLEVTECCNXVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-9-2-1-3-10(18)14(9)20-16-21-15(23)13(24-16)7-8-4-5-11(19)12(22)6-8/h1-7,22H,19H2,(H,20,21,23).
What are the key properties of 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 380.26 g/mol, XLogP of 4.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136600364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).