(5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C14H8ClNO4S — CID 11529859

IUPAC(5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3O)o2)S1
InChIInChI=1S/C14H8ClNO4S/c15-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
InChIKeyTYJXVOWPGAWAHU-SDQBBNPISA-N
MW321.74 g/mol
LogP3.63
Rot. Bonds2

About (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11529859) has the molecular formula C14H8ClNO4S and a molecular weight of 321.74 g/mol. Its IUPAC name is (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11529859
Molecular FormulaC14H8ClNO4S
Molecular Weight321.74 g/mol
Exact Mass320.99
IUPAC Name(5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3O)o2)S1
InChIInChI=1S/C14H8ClNO4S/c15-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
InChIKeyTYJXVOWPGAWAHU-SDQBBNPISA-N
XLogP3.63
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 11529859) is (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3O)o2)S1.
What is the InChIKey of (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is TYJXVOWPGAWAHU-SDQBBNPISA-N. The full InChI is InChI=1S/C14H8ClNO4S/c15-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-.
What are the key properties of (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 321.74 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(5-chloro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11529859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).