(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione

C23H17Cl2NO3S — CID 126132921

IUPAC(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C23H17Cl2NO3S/c24-16-8-10-18(19(25)13-16)20-11-9-17(29-20)14-21-22(27)26(23(28)30-21)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2/b21-14-
InChIKeyLOZJQEGUAGVPID-STZFKDTASA-N
MW458.37 g/mol
LogP6.92
Rot. Bonds6

About (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126132921) has the molecular formula C23H17Cl2NO3S and a molecular weight of 458.37 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
PubChem CID126132921
Molecular FormulaC23H17Cl2NO3S
Molecular Weight458.37 g/mol
Exact Mass457.03
IUPAC Name(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C23H17Cl2NO3S/c24-16-8-10-18(19(25)13-16)20-11-9-17(29-20)14-21-22(27)26(23(28)30-21)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2/b21-14-
InChIKeyLOZJQEGUAGVPID-STZFKDTASA-N
XLogP6.92
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.37
LogP ≤ 56.92
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

(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126241885
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126155516
3-[5-[(E)-[2,4-dioxo-3-(3-phenylpropyl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid
CID 126138825
methyl 2-[5-[(E)-[2,4-dioxo-3-(3-phenylpropyl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 126133341
N-(2-bromophenyl)-2-[(5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126344137
2-[5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 1333952
(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 126217529
6-[5-[[5-(5-chloro-2-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]hexanoic acid
CID 72655267
(5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126149900
2-[(5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,5-dimethylphenyl)acetamide
CID 126281404
N-(3-chloro-4-fluorophenyl)-2-[(5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126229301
N-(4-bromophenyl)-2-[(5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126158710

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione (CID 126132921) is (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1CCCc1ccccc1.
What is the InChIKey of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is LOZJQEGUAGVPID-STZFKDTASA-N. The full InChI is InChI=1S/C23H17Cl2NO3S/c24-16-8-10-18(19(25)13-16)20-11-9-17(29-20)14-21-22(27)26(23(28)30-21)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2/b21-14-.
What are the key properties of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 458.37 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126132921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).