2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid

C20H15F2NO3S — CID 161460814

IUPAC2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid
SMILESO=C(Cc1csc(-c2ccccc2)n1)CC(C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C20H15F2NO3S/c21-13-6-7-18(22)16(8-13)17(20(25)26)10-15(24)9-14-11-27-19(23-14)12-4-2-1-3-5-12/h1-8,11,17H,9-10H2,(H,25,26)
InChIKeyWBTYJKQOZGJSMG-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.46
Rot. Bonds7

About 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid

2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid (PubChem CID 161460814) has the molecular formula C20H15F2NO3S and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid
PubChem CID161460814
Molecular FormulaC20H15F2NO3S
Molecular Weight387.41 g/mol
Exact Mass387.07
IUPAC Name2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid
SMILESO=C(Cc1csc(-c2ccccc2)n1)CC(C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C20H15F2NO3S/c21-13-6-7-18(22)16(8-13)17(20(25)26)10-15(24)9-14-11-27-19(23-14)12-4-2-1-3-5-12/h1-8,11,17H,9-10H2,(H,25,26)
InChIKeyWBTYJKQOZGJSMG-UHFFFAOYSA-N
XLogP4.46
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 162155202
(2R)-5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-(2-methylpropyl)-4-oxopentanoic acid
CID 159025387
N-[1-(2,5-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 86926512
2-[2-oxo-3-(2-phenyl-1,3-thiazol-4-yl)propyl]heptanoic acid
CID 148689231
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159430012
(2R)-2-benzyl-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid;sulfane
CID 161101921
(2S)-2-benzyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 158161586
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
(2R)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylpentanoic acid
CID 161429755
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid (CID 161460814) is 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid is O=C(Cc1csc(-c2ccccc2)n1)CC(C(=O)O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid?
The InChIKey is WBTYJKQOZGJSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3S/c21-13-6-7-18(22)16(8-13)17(20(25)26)10-15(24)9-14-11-27-19(23-14)12-4-2-1-3-5-12/h1-8,11,17H,9-10H2,(H,25,26).
What are the key properties of 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid?
2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid has a molecular weight of 387.41 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-oxo-5-(2-phenyl-1,3-thiazol-4-yl)pentanoic acid is sourced from PubChem (CID 161460814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).