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

C18H10Cl2N4OS — CID 135416229

IUPAC(5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1ccc2nccnc2c1
InChIInChI=1S/C18H10Cl2N4OS/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)/b15-9-
InChIKeyRJPNRXFBYZVRIB-DHDCSXOGSA-N
MW401.28 g/mol
LogP4.83
Rot. Bonds2

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

(5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135416229) has the molecular formula C18H10Cl2N4OS and a molecular weight of 401.28 g/mol. Its IUPAC name is (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135416229
Molecular FormulaC18H10Cl2N4OS
Molecular Weight401.28 g/mol
Exact Mass400.00
IUPAC Name(5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1ccc2nccnc2c1
InChIInChI=1S/C18H10Cl2N4OS/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)/b15-9-
InChIKeyRJPNRXFBYZVRIB-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'}

Analyze (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ROCHE screening, 68
CID 135950082
(5Z)-2-(5-amino-2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136059507
Sdccgrch-0000019.P001
CID 135950080
Sdccgrch-0000087.P001
CID 135950083
Sdccgrch-0000191.P001
CID 135950084
(5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135500040
Sdccgrch-0000102.P001
CID 135950086
(5E)-3-(3-chloro-4-fluorophenyl)-5-(quinoxalin-6-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 17598571
(5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135457445
6-[(E)-[2-[(2-chloro-4-fluorophenyl)methylimino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,5-naphthyridine-3-carbonitrile
CID 135465991
6-[(E)-[2-[(3-chloro-4-fluorophenyl)methylimino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,5-naphthyridine-3-carbonitrile
CID 135465992
(5Z)-2-(2-chloro-4-fluoro-5-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135512054

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135416229) is (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1ccc2nccnc2c1.
What is the InChIKey of (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is RJPNRXFBYZVRIB-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H10Cl2N4OS/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)/b15-9-.
What are the key properties of (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-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)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135416229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).