(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C20H18FNO3S — CID 17272541

IUPAC(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C20H18FNO3S/c1-2-11-25-16-9-7-14(8-10-16)12-18-19(23)22(20(24)26-18)13-15-5-3-4-6-17(15)21/h3-10,12H,2,11,13H2,1H3/b18-12+
InChIKeyYDZNIVPYEJHBMQ-LDADJPATSA-N
MW371.43 g/mol
LogP4.85
Rot. Bonds6

About (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 17272541) has the molecular formula C20H18FNO3S and a molecular weight of 371.43 g/mol. Its IUPAC name is (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID17272541
Molecular FormulaC20H18FNO3S
Molecular Weight371.43 g/mol
Exact Mass371.10
IUPAC Name(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C20H18FNO3S/c1-2-11-25-16-9-7-14(8-10-16)12-18-19(23)22(20(24)26-18)13-15-5-3-4-6-17(15)21/h3-10,12H,2,11,13H2,1H3/b18-12+
InChIKeyYDZNIVPYEJHBMQ-LDADJPATSA-N
XLogP4.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.85
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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Related Compounds

5-[(4-ethoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 73462937
(5E)-3-ethyl-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126113520
3-[(2-fluorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 73462941
2-[4-[(E)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 124664192
N-(2-bromo-4,5-dimethylphenyl)-2-[4-[(E)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 124664279
3-[(2-fluorophenyl)methyl]-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1232279
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 28985175
3-[(2-fluorophenyl)methyl]-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1229543
[(2S)-butan-2-yl] 2-[(5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 126205207
3-[(2-fluorophenyl)methyl]-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4675931
(5E)-3-[(4-methylphenyl)methyl]-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124664986
(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124664239

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 17272541) is (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1.
What is the InChIKey of (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YDZNIVPYEJHBMQ-LDADJPATSA-N. The full InChI is InChI=1S/C20H18FNO3S/c1-2-11-25-16-9-7-14(8-10-16)12-18-19(23)22(20(24)26-18)13-15-5-3-4-6-17(15)21/h3-10,12H,2,11,13H2,1H3/b18-12+.
What are the key properties of (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 371.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 17272541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).