sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride

C18H11Cl2N4NaOS — CID 173098108

IUPACsodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)SC1=Cc1ccc2nccnc2c1.[H-].[Na+]
InChIInChI=1S/C18H10Cl2N4OS.Na.H/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13;;/h1-9H,(H,23,24,25);;/q;+1;-1
InChIKeyXUPJDUZBSICTPQ-UHFFFAOYSA-N
MW425.28 g/mol
LogP1.94
Rot. Bonds2

About sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride

sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride (PubChem CID 173098108) has the molecular formula C18H11Cl2N4NaOS and a molecular weight of 425.28 g/mol. Its IUPAC name is sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride.

Molecular Properties

Compound Namesodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride
PubChem CID173098108
Molecular FormulaC18H11Cl2N4NaOS
Molecular Weight425.28 g/mol
Exact Mass423.99
IUPAC Namesodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)SC1=Cc1ccc2nccnc2c1.[H-].[Na+]
InChIInChI=1S/C18H10Cl2N4OS.Na.H/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13;;/h1-9H,(H,23,24,25);;/q;+1;-1
InChIKeyXUPJDUZBSICTPQ-UHFFFAOYSA-N
XLogP1.94
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 51.94
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

(5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135524001
2-(2,6-dichlorophenyl)imino-5-[(4-phenylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136628070
(5E)-2-(2,6-dichlorophenyl)imino-5-[[4-(dimethylamino)quinolin-6-yl]methylidene]-1,3-thiazolidin-4-one
CID 135435341
(5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 135435364
2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136641671
2-[(3,5-dichloro-4-pyridinyl)imino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136649408
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
2-(2-chloro-6-phenylphenyl)imino-5-[(4-phenylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136594573
5-[(8-chloroquinolin-6-yl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136655560
5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136600364
2-(3-benzoyl-2-chlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136651665

Frequently Asked Questions

What is the IUPAC name of sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride?
The IUPAC name of sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride (CID 173098108) is sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride.
What is the SMILES notation for sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride?
The canonical SMILES for sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride is O=C1N/C(=N/c2c(Cl)cccc2Cl)SC1=Cc1ccc2nccnc2c1.[H-].[Na+].
What is the InChIKey of sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride?
The InChIKey is XUPJDUZBSICTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N4OS.Na.H/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13;;/h1-9H,(H,23,24,25);;/q;+1;-1.
What are the key properties of sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride?
sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride has a molecular weight of 425.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride is sourced from PubChem (CID 173098108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).