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

C16H13ClN2O3S — CID 162670948

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCO)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H13ClN2O3S/c17-11-3-1-2-10(8-11)13-5-4-12(22-13)9-14-15(21)19-16(23-14)18-6-7-20/h1-5,8-9,20H,6-7H2,(H,18,19,21)/b14-9-
InChIKeyCYYKYONVEDJDBO-ZROIWOOFSA-N
MW348.81 g/mol
LogP3.15
Rot. Bonds4

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

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one (PubChem CID 162670948) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one
PubChem CID162670948
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCO)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H13ClN2O3S/c17-11-3-1-2-10(8-11)13-5-4-12(22-13)9-14-15(21)19-16(23-14)18-6-7-20/h1-5,8-9,20H,6-7H2,(H,18,19,21)/b14-9-
InChIKeyCYYKYONVEDJDBO-ZROIWOOFSA-N
XLogP3.15
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.15
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-hydroxyethylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one (CID 162670948) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one is O=C1N/C(=N\CCO)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one?
The InChIKey is CYYKYONVEDJDBO-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c17-11-3-1-2-10(8-11)13-5-4-12(22-13)9-14-15(21)19-16(23-14)18-6-7-20/h1-5,8-9,20H,6-7H2,(H,18,19,21)/b14-9-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one has a molecular weight of 348.81 g/mol, XLogP of 3.15, 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-(2-hydroxyethylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 162670948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).