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

C22H17ClN2O4S — CID 162667043

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2ccc(O)c(O)c2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C22H17ClN2O4S/c23-15-3-1-2-14(11-15)19-7-5-16(29-19)12-20-21(28)25-22(30-20)24-9-8-13-4-6-17(26)18(27)10-13/h1-7,10-12,26-27H,8-9H2,(H,24,25,28)/b20-12-
InChIKeyLZOMQMCUPRESGU-NDENLUEZSA-N
MW440.91 g/mol
LogP4.81
Rot. Bonds5

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

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one (PubChem CID 162667043) has the molecular formula C22H17ClN2O4S and a molecular weight of 440.91 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one
PubChem CID162667043
Molecular FormulaC22H17ClN2O4S
Molecular Weight440.91 g/mol
Exact Mass440.06
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2ccc(O)c(O)c2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C22H17ClN2O4S/c23-15-3-1-2-14(11-15)19-7-5-16(29-19)12-20-21(28)25-22(30-20)24-9-8-13-4-6-17(26)18(27)10-13/h1-7,10-12,26-27H,8-9H2,(H,24,25,28)/b20-12-
InChIKeyLZOMQMCUPRESGU-NDENLUEZSA-N
XLogP4.81
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one (CID 162667043) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one is O=C1N/C(=N\CCc2ccc(O)c(O)c2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one?
The InChIKey is LZOMQMCUPRESGU-NDENLUEZSA-N. The full InChI is InChI=1S/C22H17ClN2O4S/c23-15-3-1-2-14(11-15)19-7-5-16(29-19)12-20-21(28)25-22(30-20)24-9-8-13-4-6-17(26)18(27)10-13/h1-7,10-12,26-27H,8-9H2,(H,24,25,28)/b20-12-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one has a molecular weight of 440.91 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4-dihydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162667043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).