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

C12H10FNO2S — CID 62024519

IUPAC3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)c1cccc(F)c1
InChIInChI=1S/C12H10FNO2S/c1-8-7-17-12(16)14(8)6-11(15)9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeyAVYSIRKZKIEUNQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.24
Rot. Bonds3

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

3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 62024519) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID62024519
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)c1cccc(F)c1
InChIInChI=1S/C12H10FNO2S/c1-8-7-17-12(16)14(8)6-11(15)9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeyAVYSIRKZKIEUNQ-UHFFFAOYSA-N
XLogP2.24
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62025239
N-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 47921613
3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62025800
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8814476
3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62024336
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524
1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797893
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
CID 43287094

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (CID 62024519) is 3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)c1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is AVYSIRKZKIEUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-8-7-17-12(16)14(8)6-11(15)9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3.
What are the key properties of 3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 251.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 62024519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).