(5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C15H8F3NO5S — CID 11566902

IUPAC(5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cc(OC(F)(F)F)ccc3O)o2)S1
InChIInChI=1S/C15H8F3NO5S/c16-15(17,18)24-8-1-3-10(20)9(5-8)11-4-2-7(23-11)6-12-13(21)19-14(22)25-12/h1-6,20H,(H,19,21,22)/b12-6-
InChIKeySBGSKEOYYYCTJW-SDQBBNPISA-N
MW371.29 g/mol
LogP3.87
Rot. Bonds3

About (5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11566902) has the molecular formula C15H8F3NO5S and a molecular weight of 371.29 g/mol. Its IUPAC name is (5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11566902
Molecular FormulaC15H8F3NO5S
Molecular Weight371.29 g/mol
Exact Mass371.01
IUPAC Name(5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cc(OC(F)(F)F)ccc3O)o2)S1
InChIInChI=1S/C15H8F3NO5S/c16-15(17,18)24-8-1-3-10(20)9(5-8)11-4-2-7(23-11)6-12-13(21)19-14(22)25-12/h1-6,20H,(H,19,21,22)/b12-6-
InChIKeySBGSKEOYYYCTJW-SDQBBNPISA-N
XLogP3.87
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 11566902) is (5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3cc(OC(F)(F)F)ccc3O)o2)S1.
What is the InChIKey of (5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SBGSKEOYYYCTJW-SDQBBNPISA-N. The full InChI is InChI=1S/C15H8F3NO5S/c16-15(17,18)24-8-1-3-10(20)9(5-8)11-4-2-7(23-11)6-12-13(21)19-14(22)25-12/h1-6,20H,(H,19,21,22)/b12-6-.
What are the key properties of (5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 371.29 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11566902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).