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

C19H13ClN2O3S — CID 162670249

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccoc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H13ClN2O3S/c20-14-3-1-2-13(8-14)16-5-4-15(25-16)9-17-18(23)22-19(26-17)21-10-12-6-7-24-11-12/h1-9,11H,10H2,(H,21,22,23)/b17-9-
InChIKeyNIKAUMXGFXKZHE-MFOYZWKCSA-N
MW384.84 g/mol
LogP4.95
Rot. Bonds4

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

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one (PubChem CID 162670249) has the molecular formula C19H13ClN2O3S and a molecular weight of 384.84 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one
PubChem CID162670249
Molecular FormulaC19H13ClN2O3S
Molecular Weight384.84 g/mol
Exact Mass384.03
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccoc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H13ClN2O3S/c20-14-3-1-2-13(8-14)16-5-4-15(25-16)9-17-18(23)22-19(26-17)21-10-12-6-7-24-11-12/h1-9,11H,10H2,(H,21,22,23)/b17-9-
InChIKeyNIKAUMXGFXKZHE-MFOYZWKCSA-N
XLogP4.95
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.95
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-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one (CID 162670249) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one is O=C1N/C(=N\Cc2ccoc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one?
The InChIKey is NIKAUMXGFXKZHE-MFOYZWKCSA-N. The full InChI is InChI=1S/C19H13ClN2O3S/c20-14-3-1-2-13(8-14)16-5-4-15(25-16)9-17-18(23)22-19(26-17)21-10-12-6-7-24-11-12/h1-9,11H,10H2,(H,21,22,23)/b17-9-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one has a molecular weight of 384.84 g/mol, XLogP of 4.95, 4 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-(furan-3-ylmethylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 162670249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).