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

C19H16FNO3S — CID 1231270

IUPAC(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1C
InChIInChI=1S/C19H16FNO3S/c1-12-9-14(5-8-16(12)24-2)10-17-18(22)21(19(23)25-17)11-13-3-6-15(20)7-4-13/h3-10H,11H2,1-2H3/b17-10-
InChIKeyDUOSSFORSUAFLL-YVLHZVERSA-N
MW357.41 g/mol
LogP4.38
Rot. Bonds4

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

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1231270) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1231270
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1C
InChIInChI=1S/C19H16FNO3S/c1-12-9-14(5-8-16(12)24-2)10-17-18(22)21(19(23)25-17)11-13-3-6-15(20)7-4-13/h3-10H,11H2,1-2H3/b17-10-
InChIKeyDUOSSFORSUAFLL-YVLHZVERSA-N
XLogP4.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.38
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-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1231270) is (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1C.
What is the InChIKey of (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DUOSSFORSUAFLL-YVLHZVERSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-12-9-14(5-8-16(12)24-2)10-17-18(22)21(19(23)25-17)11-13-3-6-15(20)7-4-13/h3-10H,11H2,1-2H3/b17-10-.
What are the key properties of (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 4.38, 4 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-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1231270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).