(5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one

C19H11Cl2N3OS — CID 135524022

IUPAC(5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1cc2ccccc2cn1
InChIInChI=1S/C19H11Cl2N3OS/c20-14-6-3-7-15(21)17(14)23-19-24-18(25)16(26-19)9-13-8-11-4-1-2-5-12(11)10-22-13/h1-10H,(H,23,24,25)/b16-9-
InChIKeyFBEVTRXOEDMLKF-SXGWCWSVSA-N
MW400.29 g/mol
LogP5.43
Rot. Bonds2

About (5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135524022) has the molecular formula C19H11Cl2N3OS and a molecular weight of 400.29 g/mol. Its IUPAC name is (5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135524022
Molecular FormulaC19H11Cl2N3OS
Molecular Weight400.29 g/mol
Exact Mass399.00
IUPAC Name(5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1cc2ccccc2cn1
InChIInChI=1S/C19H11Cl2N3OS/c20-14-6-3-7-15(21)17(14)23-19-24-18(25)16(26-19)9-13-8-11-4-1-2-5-12(11)10-22-13/h1-10H,(H,23,24,25)/b16-9-
InChIKeyFBEVTRXOEDMLKF-SXGWCWSVSA-N
XLogP5.43
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.29
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(8-chloroquinolin-6-yl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136655560
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carboxylic acid
CID 136623567
(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
2-[(3,5-dichloro-4-pyridinyl)imino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136649408
ethyl 6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carboxylate
CID 136509892
2-(2,6-dichlorophenyl)imino-5-[(4-phenylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136628070
5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136600364
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,2,4-benzotriazine-3-carboxylic acid
CID 136648427
(5E)-2-(2,6-dichlorophenyl)imino-5-[[4-(dimethylamino)quinolin-6-yl]methylidene]-1,3-thiazolidin-4-one
CID 135435341
2-(2-chlorophenyl)imino-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135531809
(5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one
CID 135443319

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 135524022) is (5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1cc2ccccc2cn1.
What is the InChIKey of (5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is FBEVTRXOEDMLKF-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H11Cl2N3OS/c20-14-6-3-7-15(21)17(14)23-19-24-18(25)16(26-19)9-13-8-11-4-1-2-5-12(11)10-22-13/h1-10H,(H,23,24,25)/b16-9-.
What are the key properties of (5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(2,6-dichlorophenyl)imino-5-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 400.29 g/mol, XLogP of 5.43, 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-(isoquinolin-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135524022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).