(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one

C18H15ClN2O3S — CID 162656579

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCOC2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H15ClN2O3S/c19-12-3-1-2-11(8-12)15-5-4-14(24-15)9-16-17(22)21-18(25-16)20-13-6-7-23-10-13/h1-5,8-9,13H,6-7,10H2,(H,20,21,22)/b16-9-
InChIKeyFARSJDYCUPXKCZ-SXGWCWSVSA-N
MW374.85 g/mol
LogP3.95
Rot. Bonds3

About (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one (PubChem CID 162656579) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one
PubChem CID162656579
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCOC2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H15ClN2O3S/c19-12-3-1-2-11(8-12)15-5-4-14(24-15)9-16-17(22)21-18(25-16)20-13-6-7-23-10-13/h1-5,8-9,13H,6-7,10H2,(H,20,21,22)/b16-9-
InChIKeyFARSJDYCUPXKCZ-SXGWCWSVSA-N
XLogP3.95
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one (CID 162656579) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CCOC2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is FARSJDYCUPXKCZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-12-3-1-2-11(8-12)15-5-4-14(24-15)9-16-17(22)21-18(25-16)20-13-6-7-23-10-13/h1-5,8-9,13H,6-7,10H2,(H,20,21,22)/b16-9-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 374.85 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 162656579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).