(5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one

C16H15Cl2N3O2S — CID 135443319

IUPAC(5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\C(=O)N1CCCCC1
InChIInChI=1S/C16H15Cl2N3O2S/c17-10-5-4-6-11(18)14(10)19-16-20-15(23)12(24-16)9-13(22)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8H2,(H,19,20,23)/b12-9-
InChIKeyZJAFQEPKACAPLY-XFXZXTDPSA-N
MW384.29 g/mol
LogP3.74
Rot. Bonds2

About (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one

(5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one (PubChem CID 135443319) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one
PubChem CID135443319
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name(5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\C(=O)N1CCCCC1
InChIInChI=1S/C16H15Cl2N3O2S/c17-10-5-4-6-11(18)14(10)19-16-20-15(23)12(24-16)9-13(22)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8H2,(H,19,20,23)/b12-9-
InChIKeyZJAFQEPKACAPLY-XFXZXTDPSA-N
XLogP3.74
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 136649356
(5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione
CID 1346020
(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide
CID 135457050
5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136600364
(5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 135435364
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
(2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide
CID 142246636
(5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135524022
(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-methylacetamide;(1E,3Z,5Z)-1-ethoxycycloocta-1,3,5-triene
CID 142246617
(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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one (CID 135443319) is (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\C(=O)N1CCCCC1.
What is the InChIKey of (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one?
The InChIKey is ZJAFQEPKACAPLY-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c17-10-5-4-6-11(18)14(10)19-16-20-15(23)12(24-16)9-13(22)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8H2,(H,19,20,23)/b12-9-.
What are the key properties of (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one has a molecular weight of 384.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135443319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).