5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid

C14H12FNO3S — CID 159430012

IUPAC5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FNO3S/c15-10-3-1-9(2-4-10)14-16-11(8-20-14)7-12(17)5-6-13(18)19/h1-4,8H,5-7H2,(H,18,19)
InChIKeyLQWBZMUZPMCAOF-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.93
Rot. Bonds6

About 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid

5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid (PubChem CID 159430012) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
PubChem CID159430012
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FNO3S/c15-10-3-1-9(2-4-10)14-16-11(8-20-14)7-12(17)5-6-13(18)19/h1-4,8H,5-7H2,(H,18,19)
InChIKeyLQWBZMUZPMCAOF-UHFFFAOYSA-N
XLogP2.93
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 158428908
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 82810054
1-(4-fluorophenyl)-3-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8560600
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 18271955

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid?
The IUPAC name of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid (CID 159430012) is 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid?
The canonical SMILES for 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid is O=C(O)CCC(=O)Cc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid?
The InChIKey is LQWBZMUZPMCAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c15-10-3-1-9(2-4-10)14-16-11(8-20-14)7-12(17)5-6-13(18)19/h1-4,8H,5-7H2,(H,18,19).
What are the key properties of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid?
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid is sourced from PubChem (CID 159430012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).