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

C21H15ClN2O3S — CID 162663971

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2cccc(O)c2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C21H15ClN2O3S/c22-15-5-2-4-14(10-15)18-8-7-17(27-18)11-19-20(26)24-21(28-19)23-12-13-3-1-6-16(25)9-13/h1-11,25H,12H2,(H,23,24,26)/b19-11-
InChIKeyMBPZYTWLXDOSBP-ODLFYWEKSA-N
MW410.88 g/mol
LogP5.07
Rot. Bonds4

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

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one (PubChem CID 162663971) has the molecular formula C21H15ClN2O3S and a molecular weight of 410.88 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one
PubChem CID162663971
Molecular FormulaC21H15ClN2O3S
Molecular Weight410.88 g/mol
Exact Mass410.05
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2cccc(O)c2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C21H15ClN2O3S/c22-15-5-2-4-14(10-15)18-8-7-17(27-18)11-19-20(26)24-21(28-19)23-12-13-3-1-6-16(25)9-13/h1-11,25H,12H2,(H,23,24,26)/b19-11-
InChIKeyMBPZYTWLXDOSBP-ODLFYWEKSA-N
XLogP5.07
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 55.07
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-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one (CID 162663971) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one is O=C1N/C(=N\Cc2cccc(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-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one?
The InChIKey is MBPZYTWLXDOSBP-ODLFYWEKSA-N. The full InChI is InChI=1S/C21H15ClN2O3S/c22-15-5-2-4-14(10-15)18-8-7-17(27-18)11-19-20(26)24-21(28-19)23-12-13-3-1-6-16(25)9-13/h1-11,25H,12H2,(H,23,24,26)/b19-11-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one has a molecular weight of 410.88 g/mol, XLogP of 5.07, 4 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-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162663971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).