(5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C20H11Cl2NO3S — CID 18840438

IUPAC(5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C20H11Cl2NO3S/c21-12-4-3-5-13(10-12)23-19(24)18(27-20(23)25)11-14-8-9-17(26-14)15-6-1-2-7-16(15)22/h1-11H/b18-11+
InChIKeyPFUBOFJOVALUDZ-WOJGMQOQSA-N
MW416.29 g/mol
LogP6.49
Rot. Bonds3

About (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18840438) has the molecular formula C20H11Cl2NO3S and a molecular weight of 416.29 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18840438
Molecular FormulaC20H11Cl2NO3S
Molecular Weight416.29 g/mol
Exact Mass414.98
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C20H11Cl2NO3S/c21-12-4-3-5-13(10-12)23-19(24)18(27-20(23)25)11-14-8-9-17(26-14)15-6-1-2-7-16(15)22/h1-11H/b18-11+
InChIKeyPFUBOFJOVALUDZ-WOJGMQOQSA-N
XLogP6.49
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840354
(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 50871047
(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126216204
4-[5-[(E)-[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid
CID 126205735
(5Z)-3-(3-chlorophenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1362551
(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 50871007
(5E)-3-(3-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126222245
(5E)-3-(3-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126224571
(5E)-3-(3-chlorophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126219752
(5Z)-3-(3-chlorophenyl)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126363589
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837394
(5Z)-3-(3-hydroxyphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6200697

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 18840438) is (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PFUBOFJOVALUDZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C20H11Cl2NO3S/c21-12-4-3-5-13(10-12)23-19(24)18(27-20(23)25)11-14-8-9-17(26-14)15-6-1-2-7-16(15)22/h1-11H/b18-11+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 416.29 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).