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

C13H13FN2O2S — CID 135941252

IUPAC5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one
SMILESCC(C)n1c(O)c(/C=N/c2ccc(F)cc2)sc1=O
InChIInChI=1S/C13H13FN2O2S/c1-8(2)16-12(17)11(19-13(16)18)7-15-10-5-3-9(14)4-6-10/h3-8,17H,1-2H3/b15-7+
InChIKeyPOHKWRWWQCGRCX-VIZOYTHASA-N
MW280.32 g/mol
LogP3.09
Rot. Bonds3

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

5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one (PubChem CID 135941252) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one
PubChem CID135941252
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one
SMILESCC(C)n1c(O)c(/C=N/c2ccc(F)cc2)sc1=O
InChIInChI=1S/C13H13FN2O2S/c1-8(2)16-12(17)11(19-13(16)18)7-15-10-5-3-9(14)4-6-10/h3-8,17H,1-2H3/b15-7+
InChIKeyPOHKWRWWQCGRCX-VIZOYTHASA-N
XLogP3.09
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.09
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
(5Z)-5-(anilinomethylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4274100
3-Ethyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451167
3-Ethyl-4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-1,3-thiazole-2-thione
CID 3115051
3-Ethyl-5-(((4-fluorophenyl)amino)methylene)-2-thioxo-1,3-thiazolidin-4-one
CID 4075496
3-Cyclohexyl-5-[(2,4-difluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione
CID 135398888
3-Cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione
CID 135398890
4-Hydroxy-5-(phenyliminomethyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazole-2-thione
CID 135793905
5-{[(4-Fluorophenyl)amino]methylene}-1,3-thiazolidine-2,4-dione
CID 135941207

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one (CID 135941252) is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one is CC(C)n1c(O)c(/C=N/c2ccc(F)cc2)sc1=O.
What is the InChIKey of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one?
The InChIKey is POHKWRWWQCGRCX-VIZOYTHASA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-8(2)16-12(17)11(19-13(16)18)7-15-10-5-3-9(14)4-6-10/h3-8,17H,1-2H3/b15-7+.
What are the key properties of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one?
5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one has a molecular weight of 280.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-propan-2-yl-1,3-thiazol-2-one is sourced from PubChem (CID 135941252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).