5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid

C13H9FN4O3S — CID 59001536

IUPAC5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESCC(=O)Nc1nc2c(s1)c(C(=O)O)nn2-c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O3S/c1-6(19)15-13-16-11-10(22-13)9(12(20)21)17-18(11)8-4-2-7(14)3-5-8/h2-5H,1H3,(H,20,21)(H,15,16,19)
InChIKeyMZJWXAOFRVJFCP-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.28
Rot. Bonds3

About 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid

5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (PubChem CID 59001536) has the molecular formula C13H9FN4O3S and a molecular weight of 320.31 g/mol. Its IUPAC name is 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
PubChem CID59001536
Molecular FormulaC13H9FN4O3S
Molecular Weight320.31 g/mol
Exact Mass320.04
IUPAC Name5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESCC(=O)Nc1nc2c(s1)c(C(=O)O)nn2-c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O3S/c1-6(19)15-13-16-11-10(22-13)9(12(20)21)17-18(11)8-4-2-7(14)3-5-8/h2-5H,1H3,(H,20,21)(H,15,16,19)
InChIKeyMZJWXAOFRVJFCP-UHFFFAOYSA-N
XLogP2.28
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The IUPAC name of 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (CID 59001536) is 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is CC(=O)Nc1nc2c(s1)c(C(=O)O)nn2-c1ccc(F)cc1.
What is the InChIKey of 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The InChIKey is MZJWXAOFRVJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3S/c1-6(19)15-13-16-11-10(22-13)9(12(20)21)17-18(11)8-4-2-7(14)3-5-8/h2-5H,1H3,(H,20,21)(H,15,16,19).
What are the key properties of 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid has a molecular weight of 320.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 59001536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).