(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one

C22H16Cl2N2O2S — CID 137166659

IUPAC(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c(C)c1
InChIInChI=1S/C22H16Cl2N2O2S/c1-12-6-8-17(13(2)10-12)25-22-26-21(27)19(29-22)11-14-7-9-18(28-14)15-4-3-5-16(23)20(15)24/h3-11H,1-2H3,(H,25,26,27)/b19-11+
InChIKeyHDNVLBNQEXJNAK-YBFXNURJSA-N
MW443.36 g/mol
LogP6.76
Rot. Bonds3

About (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137166659) has the molecular formula C22H16Cl2N2O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID137166659
Molecular FormulaC22H16Cl2N2O2S
Molecular Weight443.36 g/mol
Exact Mass442.03
IUPAC Name(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c(C)c1
InChIInChI=1S/C22H16Cl2N2O2S/c1-12-6-8-17(13(2)10-12)25-22-26-21(27)19(29-22)11-14-7-9-18(28-14)15-4-3-5-16(23)20(15)24/h3-11H,1-2H3,(H,25,26,27)/b19-11+
InChIKeyHDNVLBNQEXJNAK-YBFXNURJSA-N
XLogP6.76
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.36
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-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

(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089507
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063867
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135451147
5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135487056
(5E)-2-(2,4-dimethylphenyl)imino-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 137089491
3-[5-[(E)-[2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 135508984
2-(2,4-dimethylphenyl)imino-5-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135460842
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135844429
(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135642563
2-[5-[(Z)-[2-(4-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 137140580
methyl 2-chloro-4-[5-[(Z)-[2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 137121233
2-(2,4-dimethylphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135469403

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (CID 137166659) is (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c(C)c1.
What is the InChIKey of (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is HDNVLBNQEXJNAK-YBFXNURJSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2S/c1-12-6-8-17(13(2)10-12)25-22-26-21(27)19(29-22)11-14-7-9-18(28-14)15-4-3-5-16(23)20(15)24/h3-11H,1-2H3,(H,25,26,27)/b19-11+.
What are the key properties of (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 443.36 g/mol, XLogP of 6.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137166659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).