5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C14H7F2NO3S2 — CID 75023402

IUPAC5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(-c3cc(F)cc(F)c3O)s2)S1
InChIInChI=1S/C14H7F2NO3S2/c15-6-3-8(12(18)9(16)4-6)10-2-1-7(21-10)5-11-13(19)17-14(20)22-11/h1-5,18H,(H,17,19,20)
InChIKeyNRUOQMAAFHGBEE-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.72
Rot. Bonds2

About 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 75023402) has the molecular formula C14H7F2NO3S2 and a molecular weight of 339.34 g/mol. Its IUPAC name is 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID75023402
Molecular FormulaC14H7F2NO3S2
Molecular Weight339.34 g/mol
Exact Mass338.98
IUPAC Name5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(-c3cc(F)cc(F)c3O)s2)S1
InChIInChI=1S/C14H7F2NO3S2/c15-6-3-8(12(18)9(16)4-6)10-2-1-7(21-10)5-11-13(19)17-14(20)22-11/h1-5,18H,(H,17,19,20)
InChIKeyNRUOQMAAFHGBEE-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.72
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 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 75023402) is 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(-c3cc(F)cc(F)c3O)s2)S1.
What is the InChIKey of 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is NRUOQMAAFHGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO3S2/c15-6-3-8(12(18)9(16)4-6)10-2-1-7(21-10)5-11-13(19)17-14(20)22-11/h1-5,18H,(H,17,19,20).
What are the key properties of 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 339.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 75023402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).