(5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C20H14ClN3OS — CID 135950084

IUPAC(5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H14ClN3OS/c21-16-6-2-1-4-15(16)12-23-20-24-19(25)18(26-20)11-13-7-8-17-14(10-13)5-3-9-22-17/h1-11H,12H2,(H,23,24,25)/b18-11-
InChIKeyJTORONFPLIPVEU-WQRHYEAKSA-N
MW379.87 g/mol
LogP4.65
Rot. Bonds3

About (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135950084) has the molecular formula C20H14ClN3OS and a molecular weight of 379.87 g/mol. Its IUPAC name is (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135950084
Molecular FormulaC20H14ClN3OS
Molecular Weight379.87 g/mol
Exact Mass379.05
IUPAC Name(5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H14ClN3OS/c21-16-6-2-1-4-15(16)12-23-20-24-19(25)18(26-20)11-13-7-8-17-14(10-13)5-3-9-22-17/h1-11H,12H2,(H,23,24,25)/b18-11-
InChIKeyJTORONFPLIPVEU-WQRHYEAKSA-N
XLogP4.65
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.65
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'}

Analyze (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

Gsk-1059615
CID 23582824
ROCHE screening, 66
CID 135407456
ROCHE screening, 64
CID 135475857
(Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinolin-6-ylmethylene)thiazol-4(5H)-one
CID 135611170
ROCHE screening, 68
CID 135950082
Gsk-626616
CID 135416229
ROCHE screening, 69
CID 135950077
ROCHE screening, 67
CID 135950079
ROCHE screening, 65
CID 135950070
4-methyl-2-(quinolin-8-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135496702
4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135520015
5-[1-Quinolin-6-yl-meth-(z)-ylidene]-2-thioxo-thiazolidin-4-one
CID 11666231

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135950084) is (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\Cc2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is JTORONFPLIPVEU-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H14ClN3OS/c21-16-6-2-1-4-15(16)12-23-20-24-19(25)18(26-20)11-13-7-8-17-14(10-13)5-3-9-22-17/h1-11H,12H2,(H,23,24,25)/b18-11-.
What are the key properties of (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 379.87 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(2-chlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135950084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).