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

C18H10Cl2N4OS — CID 135524001

IUPAC(5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1ccc2nnccc2c1
InChIInChI=1S/C18H10Cl2N4OS/c19-12-2-1-3-13(20)16(12)22-18-23-17(25)15(26-18)9-10-4-5-14-11(8-10)6-7-21-24-14/h1-9H,(H,22,23,25)/b15-9-
InChIKeyIRVJQWFJQFIXFX-DHDCSXOGSA-N
MW401.28 g/mol
LogP4.83
Rot. Bonds2

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

(5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135524001) has the molecular formula C18H10Cl2N4OS and a molecular weight of 401.28 g/mol. Its IUPAC name is (5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135524001
Molecular FormulaC18H10Cl2N4OS
Molecular Weight401.28 g/mol
Exact Mass400.00
IUPAC Name(5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1ccc2nnccc2c1
InChIInChI=1S/C18H10Cl2N4OS/c19-12-2-1-3-13(20)16(12)22-18-23-17(25)15(26-18)9-10-4-5-14-11(8-10)6-7-21-24-14/h1-9H,(H,22,23,25)/b15-9-
InChIKeyIRVJQWFJQFIXFX-DHDCSXOGSA-N
XLogP4.83
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 54.83
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

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
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
5-[(8-chloroquinolin-6-yl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136655560
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
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
2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
CID 136648679
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-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136641671

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one (CID 135524001) is (5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1ccc2nnccc2c1.
What is the InChIKey of (5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is IRVJQWFJQFIXFX-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H10Cl2N4OS/c19-12-2-1-3-13(20)16(12)22-18-23-17(25)15(26-18)9-10-4-5-14-11(8-10)6-7-21-24-14/h1-9H,(H,22,23,25)/b15-9-.
What are the key properties of (5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 401.28 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135524001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).