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

C22H17ClN2O3S — CID 162650968

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2ccc(O)cc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C22H17ClN2O3S/c23-16-3-1-2-15(12-16)19-9-8-18(28-19)13-20-21(27)25-22(29-20)24-11-10-14-4-6-17(26)7-5-14/h1-9,12-13,26H,10-11H2,(H,24,25,27)/b20-13-
InChIKeyRJFLSSJABOHAEQ-MOSHPQCFSA-N
MW424.91 g/mol
LogP5.11
Rot. Bonds5

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

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one (PubChem CID 162650968) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one
PubChem CID162650968
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2ccc(O)cc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C22H17ClN2O3S/c23-16-3-1-2-15(12-16)19-9-8-18(28-19)13-20-21(27)25-22(29-20)24-11-10-14-4-6-17(26)7-5-14/h1-9,12-13,26H,10-11H2,(H,24,25,27)/b20-13-
InChIKeyRJFLSSJABOHAEQ-MOSHPQCFSA-N
XLogP5.11
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.11
H-Bond Donors ≤ 52
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-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one (CID 162650968) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one is O=C1N/C(=N\CCc2ccc(O)cc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one?
The InChIKey is RJFLSSJABOHAEQ-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c23-16-3-1-2-15(12-16)19-9-8-18(28-19)13-20-21(27)25-22(29-20)24-11-10-14-4-6-17(26)7-5-14/h1-9,12-13,26H,10-11H2,(H,24,25,27)/b20-13-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one has a molecular weight of 424.91 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 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-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162650968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).