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

C20H11Cl2FN2O2S — CID 135470203

IUPAC5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1
InChIInChI=1S/C20H11Cl2FN2O2S/c21-12-7-11(8-13(22)9-12)17-6-5-16(27-17)10-18-19(25-20(26)28-18)24-15-3-1-14(23)2-4-15/h1-10H,(H,24,25,26)
InChIKeyZVBLTFJBHCQSJK-UHFFFAOYSA-N
MW433.29 g/mol
LogP6.92
Rot. Bonds3

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

5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135470203) has the molecular formula C20H11Cl2FN2O2S and a molecular weight of 433.29 g/mol. Its IUPAC name is 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
PubChem CID135470203
Molecular FormulaC20H11Cl2FN2O2S
Molecular Weight433.29 g/mol
Exact Mass431.99
IUPAC Name5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1
InChIInChI=1S/C20H11Cl2FN2O2S/c21-12-7-11(8-13(22)9-12)17-6-5-16(27-17)10-18-19(25-20(26)28-18)24-15-3-1-14(23)2-4-15/h1-10H,(H,24,25,26)
InChIKeyZVBLTFJBHCQSJK-UHFFFAOYSA-N
XLogP6.92
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 56.92
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-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135782246
4-[5-[(Z)-[4-(4-fluorophenyl)imino-2-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 135782451
(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782273
(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782306
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-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(3-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782299
(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]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284
5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135413275
4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 135498345

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one (CID 135470203) is 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one is O=C1N/C(=N\c2ccc(F)cc2)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1.
What is the InChIKey of 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is ZVBLTFJBHCQSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2FN2O2S/c21-12-7-11(8-13(22)9-12)17-6-5-16(27-17)10-18-19(25-20(26)28-18)24-15-3-1-14(23)2-4-15/h1-10H,(H,24,25,26).
What are the key properties of 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one?
5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 433.29 g/mol, XLogP of 6.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135470203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).