(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C16H12FNO3S — CID 1231264

IUPAC(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1
InChIInChI=1S/C16H12FNO3S/c1-10-2-7-13(21-10)8-14-15(19)18(16(20)22-14)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3/b14-8-
InChIKeyOSSIVBMZRQBUME-ZSOIEALJSA-N
MW317.34 g/mol
LogP3.96
Rot. Bonds3

About (5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1231264) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is (5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1231264
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1
InChIInChI=1S/C16H12FNO3S/c1-10-2-7-13(21-10)8-14-15(19)18(16(20)22-14)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3/b14-8-
InChIKeyOSSIVBMZRQBUME-ZSOIEALJSA-N
XLogP3.96
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1231264) is (5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1.
What is the InChIKey of (5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is OSSIVBMZRQBUME-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H12FNO3S/c1-10-2-7-13(21-10)8-14-15(19)18(16(20)22-14)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3/b14-8-.
What are the key properties of (5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 317.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1231264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).