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

C18H15Cl2NO4S — CID 126241885

IUPAC(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
SMILESCOCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O
InChIInChI=1S/C18H15Cl2NO4S/c1-24-8-2-7-21-17(22)16(26-18(21)23)10-12-4-6-15(25-12)13-5-3-11(19)9-14(13)20/h3-6,9-10H,2,7-8H2,1H3/b16-10-
InChIKeyPUBBUZVGZZOWGT-YBEGLDIGSA-N
MW412.29 g/mol
LogP5.33
Rot. Bonds6

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

(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126241885) has the molecular formula C18H15Cl2NO4S and a molecular weight of 412.29 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
PubChem CID126241885
Molecular FormulaC18H15Cl2NO4S
Molecular Weight412.29 g/mol
Exact Mass411.01
IUPAC Name(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
SMILESCOCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O
InChIInChI=1S/C18H15Cl2NO4S/c1-24-8-2-7-21-17(22)16(26-18(21)23)10-12-4-6-15(25-12)13-5-3-11(19)9-14(13)20/h3-6,9-10H,2,7-8H2,1H3/b16-10-
InChIKeyPUBBUZVGZZOWGT-YBEGLDIGSA-N
XLogP5.33
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.29
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126155516
(5E)-5-[[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126134507
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CID 126132921
4-chloro-3-[5-[(E)-[3-(3-methoxypropyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126258775
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126130635
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
2-[(5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)acetamide
CID 126180963
(5E)-3-(3-methoxypropyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126252281
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
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
6-[5-[[5-(5-chloro-2-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]hexanoic acid
CID 72655267
2-[5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 1333952

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione (CID 126241885) is (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione is COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O.
What is the InChIKey of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is PUBBUZVGZZOWGT-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H15Cl2NO4S/c1-24-8-2-7-21-17(22)16(26-18(21)23)10-12-4-6-15(25-12)13-5-3-11(19)9-14(13)20/h3-6,9-10H,2,7-8H2,1H3/b16-10-.
What are the key properties of (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 412.29 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126241885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).