2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C17H18Cl2N4O2S — CID 136649356

IUPAC2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCCN1CCN(C(=O)C=C2S/C(=N\c3c(Cl)cccc3Cl)NC2=O)CC1
InChIInChI=1S/C17H18Cl2N4O2S/c1-2-22-6-8-23(9-7-22)14(24)10-13-16(25)21-17(26-13)20-15-11(18)4-3-5-12(15)19/h3-5,10H,2,6-9H2,1H3,(H,20,21,25)
InChIKeyKSQGMCZSCVFVCV-UHFFFAOYSA-N
MW413.33 g/mol
LogP2.89
Rot. Bonds3

About 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 136649356) has the molecular formula C17H18Cl2N4O2S and a molecular weight of 413.33 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID136649356
Molecular FormulaC17H18Cl2N4O2S
Molecular Weight413.33 g/mol
Exact Mass412.05
IUPAC Name2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCCN1CCN(C(=O)C=C2S/C(=N\c3c(Cl)cccc3Cl)NC2=O)CC1
InChIInChI=1S/C17H18Cl2N4O2S/c1-2-22-6-8-23(9-7-22)14(24)10-13-16(25)21-17(26-13)20-15-11(18)4-3-5-12(15)19/h3-5,10H,2,6-9H2,1H3,(H,20,21,25)
InChIKeyKSQGMCZSCVFVCV-UHFFFAOYSA-N
XLogP2.89
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide
CID 135457050
(2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide
CID 142246636
2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
CID 136648679
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,2,4-benzotriazine-3-carboxylic acid
CID 136648427
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carboxylic acid
CID 136623567
ethyl 6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carboxylate
CID 136509892
(11Z)-11-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-5H-benzo[c][1]benzazepin-6-one
CID 13090345
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethyl-4-pyridin-4-ylquinoline-3-carboxylic acid
CID 173085863
(5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135524001
5-[(8-chloroquinolin-6-yl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136655560
(5E)-5-[(3-chloro-4,5-dihydroxyphenyl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135717690
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-(2-hydroxy-5-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135834310

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 136649356) is 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one is CCN1CCN(C(=O)C=C2S/C(=N\c3c(Cl)cccc3Cl)NC2=O)CC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is KSQGMCZSCVFVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2S/c1-2-22-6-8-23(9-7-22)14(24)10-13-16(25)21-17(26-13)20-15-11(18)4-3-5-12(15)19/h3-5,10H,2,6-9H2,1H3,(H,20,21,25).
What are the key properties of 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 413.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136649356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).