2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid

C13H7F2N3O3S — CID 121461805

IUPAC2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2[nH]c(-c3ccc(F)cc3F)cc2=O)n1
InChIInChI=1S/C13H7F2N3O3S/c14-6-1-2-7(8(15)3-6)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,17H,(H,20,21)
InChIKeyKIWSQFRZDWLRHU-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.27
Rot. Bonds3

About 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid

2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 121461805) has the molecular formula C13H7F2N3O3S and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID121461805
Molecular FormulaC13H7F2N3O3S
Molecular Weight323.28 g/mol
Exact Mass323.02
IUPAC Name2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2[nH]c(-c3ccc(F)cc3F)cc2=O)n1
InChIInChI=1S/C13H7F2N3O3S/c14-6-1-2-7(8(15)3-6)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,17H,(H,20,21)
InChIKeyKIWSQFRZDWLRHU-UHFFFAOYSA-N
XLogP2.27
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
CID 121457603
2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 121457610
2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 121461760
2-[5-(3,5-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461807
2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461825
2-[5-(4-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461896
2-[5-(3-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 137636531
2-(5-naphthalen-1-yl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 137638998
2-[5-(3-chlorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 137640502
2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 137645277
2-[3-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 137650206
2-[3-oxo-5-(3-phenylphenyl)-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 137650978

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid (CID 121461805) is 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2[nH]c(-c3ccc(F)cc3F)cc2=O)n1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KIWSQFRZDWLRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O3S/c14-6-1-2-7(8(15)3-6)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,17H,(H,20,21).
What are the key properties of 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 323.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 121461805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).