3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one

C14H14FNO2S — CID 55204651

IUPAC3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)Cc2ccccc2F)c1C
InChIInChI=1S/C14H14FNO2S/c1-9-10(2)19-14(18)16(9)8-12(17)7-11-5-3-4-6-13(11)15/h3-6H,7-8H2,1-2H3
InChIKeyMTYUEIDZCRZPGF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.48
Rot. Bonds4

About 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 55204651) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID55204651
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)Cc2ccccc2F)c1C
InChIInChI=1S/C14H14FNO2S/c1-9-10(2)19-14(18)16(9)8-12(17)7-11-5-3-4-6-13(11)15/h3-6H,7-8H2,1-2H3
InChIKeyMTYUEIDZCRZPGF-UHFFFAOYSA-N
XLogP2.48
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione
CID 63801201
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
CID 62016943
2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide
CID 115465599
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide
CID 71985747
(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367546
3-[3-(2-fluorophenyl)-2-oxopropyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342676
1-tert-butylsulfinyl-3-(2-fluorophenyl)propan-2-one
CID 64638868
1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one
CID 62025058
ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate
CID 103484760
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone
CID 102826498
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 60572729
3-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-4-fluorobenzonitrile
CID 55204271

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 55204651) is 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(=O)Cc2ccccc2F)c1C.
What is the InChIKey of 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is MTYUEIDZCRZPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-9-10(2)19-14(18)16(9)8-12(17)7-11-5-3-4-6-13(11)15/h3-6H,7-8H2,1-2H3.
What are the key properties of 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 55204651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).