3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one

C10H8FNO2S — CID 123864243

IUPAC3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1Cc1ccc(F)cc1
InChIInChI=1S/C10H8FNO2S/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4,6,13H,5H2
InChIKeyMAKXERMMOLZFHC-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.80
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one

3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 123864243) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
PubChem CID123864243
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1Cc1ccc(F)cc1
InChIInChI=1S/C10H8FNO2S/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4,6,13H,5H2
InChIKeyMAKXERMMOLZFHC-UHFFFAOYSA-N
XLogP1.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-1,3-thiazolidine-2,4-dione
CID 2788476
3-Phenylmethyl-2-thiazolidinone
CID 10921389
Thiazolidine-2,4-dione, 25b
CID 91896050
2,4-Thiazolidinedione, 3-[(4-fluorophenyl)methyl]-
CID 2291588
3-(2-Fluorobenzyl)-1,3-thiazolidine-2,4-dione
CID 3157072
N-Benzyl-rhodanine
CID 54296987
4-Benzyl-2,4-thiazolidine-3,5-dione
CID 54413313
3-(3-Fluorobenzyl)thiazolidine-2,4-dione
CID 20110329
3-Benzyl-1,3-thiazol-2-one
CID 53646902
2-(3-Fluorophenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 24711921
2-(4-Fluorophenyl)-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 42609894
Carbamothioic acid, methyl(phenylmethyl)-, S-ethyl ester
CID 181984

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one (CID 123864243) is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one is O=c1scc(O)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is MAKXERMMOLZFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4,6,13H,5H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one?
3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 225.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 123864243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).