3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one

C12H11FN2O2S — CID 135941237

IUPAC3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=O
InChIInChI=1S/C12H11FN2O2S/c1-2-15-11(16)10(18-12(15)17)7-14-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3/b14-7+
InChIKeyQGGFZFJSLRGSDB-VGOFMYFVSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds3

About 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one

3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 135941237) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
PubChem CID135941237
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=O
InChIInChI=1S/C12H11FN2O2S/c1-2-15-11(16)10(18-12(15)17)7-14-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3/b14-7+
InChIKeyQGGFZFJSLRGSDB-VGOFMYFVSA-N
XLogP2.53
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-
CID 170221
(E)-3-ethyl-5-((phenylamino)methylene)thiazolidine-2,4-dione
CID 1416942
5-[(4-Bromoanilino)methylidene]-3-methylthiazolidine-2,4-dione
CID 1488033
5-[(Phenylamino)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1870876
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135448748
(5Z)-5-(anilinomethylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4274100
3-Butyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451622
3-Ethyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451167
3-ethyl-5-(1H-indol-3-ylmethylidene)thiazolidine-2,4-dione
CID 1309778
3-Ethyl-4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-1,3-thiazole-2-thione
CID 3115051
3-Butyl-4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-1,3-thiazole-2-thione
CID 3115052
3-Ethyl-5-(((4-fluorophenyl)amino)methylene)-2-thioxo-1,3-thiazolidin-4-one
CID 4075496

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one (CID 135941237) is 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one is CCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=O.
What is the InChIKey of 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is QGGFZFJSLRGSDB-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-2-15-11(16)10(18-12(15)17)7-14-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3/b14-7+.
What are the key properties of 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one?
3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 135941237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).