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

C20H13Cl2N3OS — CID 135950086

IUPAC(5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H13Cl2N3OS/c21-15-4-1-5-16(22)14(15)11-24-20-25-19(26)18(27-20)10-12-6-7-17-13(9-12)3-2-8-23-17/h1-10H,11H2,(H,24,25,26)/b18-10-
InChIKeyXBHJBHUDONLGFW-ZDLGFXPLSA-N
MW414.32 g/mol
LogP5.30
Rot. Bonds3

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

(5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135950086) has the molecular formula C20H13Cl2N3OS and a molecular weight of 414.32 g/mol. Its IUPAC name is (5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135950086
Molecular FormulaC20H13Cl2N3OS
Molecular Weight414.32 g/mol
Exact Mass413.02
IUPAC Name(5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H13Cl2N3OS/c21-15-4-1-5-16(22)14(15)11-24-20-25-19(26)18(27-20)10-12-6-7-17-13(9-12)3-2-8-23-17/h1-10H,11H2,(H,24,25,26)/b18-10-
InChIKeyXBHJBHUDONLGFW-ZDLGFXPLSA-N
XLogP5.30
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.32
LogP ≤ 55.30
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-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

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-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135520015
Sdccgrch-0000125.P001
CID 135495115
Sdccgrch-0000205.P001
CID 135950076
(R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(quinolin-6-ylmethylene)thiazol-4(5H)-one
CID 135950087

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135950086) is (5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\Cc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is XBHJBHUDONLGFW-ZDLGFXPLSA-N. The full InChI is InChI=1S/C20H13Cl2N3OS/c21-15-4-1-5-16(22)14(15)11-24-20-25-19(26)18(27-20)10-12-6-7-17-13(9-12)3-2-8-23-17/h1-10H,11H2,(H,24,25,26)/b18-10-.
What are the key properties of (5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-[(2,6-dichlorophenyl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 414.32 g/mol, XLogP of 5.30, 3 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)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135950086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).