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

C22H16Cl2N2O2S — CID 135782282

IUPAC(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1C
InChIInChI=1S/C22H16Cl2N2O2S/c1-12-6-7-14(10-13(12)2)25-21-19(29-22(27)26-21)11-15-8-9-18(28-15)16-4-3-5-17(23)20(16)24/h3-11H,1-2H3,(H,25,26,27)/b19-11-
InChIKeyNAWSXDJCCRKQLZ-ODLFYWEKSA-N
MW443.36 g/mol
LogP7.40
Rot. Bonds3

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

(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135782282) has the molecular formula C22H16Cl2N2O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one
PubChem CID135782282
Molecular FormulaC22H16Cl2N2O2S
Molecular Weight443.36 g/mol
Exact Mass442.03
IUPAC Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1C
InChIInChI=1S/C22H16Cl2N2O2S/c1-12-6-7-14(10-13(12)2)25-21-19(29-22(27)26-21)11-15-8-9-18(28-15)16-4-3-5-17(23)20(16)24/h3-11H,1-2H3,(H,25,26,27)/b19-11-
InChIKeyNAWSXDJCCRKQLZ-ODLFYWEKSA-N
XLogP7.40
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 ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284
(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(3-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782299
(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782306
(5Z)-4-(3,4-dimethylphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782484
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137166659
(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782430
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135451147
4-(4-chlorophenyl)imino-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135470217
4-(4-fluorophenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135413266
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135782246
5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135470203
(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782273

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one (CID 135782282) is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one is Cc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1C.
What is the InChIKey of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is NAWSXDJCCRKQLZ-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2S/c1-12-6-7-14(10-13(12)2)25-21-19(29-22(27)26-21)11-15-8-9-18(28-15)16-4-3-5-17(23)20(16)24/h3-11H,1-2H3,(H,25,26,27)/b19-11-.
What are the key properties of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one?
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 443.36 g/mol, XLogP of 7.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135782282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).