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

C16H13FN4O3S — CID 59001290

IUPAC5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)c2nc(NC(=O)C3CCC3)sc12
InChIInChI=1S/C16H13FN4O3S/c17-9-4-6-10(7-5-9)21-13-12(11(20-21)15(23)24)25-16(18-13)19-14(22)8-2-1-3-8/h4-8H,1-3H2,(H,23,24)(H,18,19,22)
InChIKeyGKDCXHMLBCMUTI-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.06
Rot. Bonds4

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

5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (PubChem CID 59001290) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
PubChem CID59001290
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2)c2nc(NC(=O)C3CCC3)sc12
InChIInChI=1S/C16H13FN4O3S/c17-9-4-6-10(7-5-9)21-13-12(11(20-21)15(23)24)25-16(18-13)19-14(22)8-2-1-3-8/h4-8H,1-3H2,(H,23,24)(H,18,19,22)
InChIKeyGKDCXHMLBCMUTI-UHFFFAOYSA-N
XLogP3.06
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxylic acid
CID 59001245
1-(4-Fluorophenyl)-5-(3-methylbutanoylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
CID 59001280
Ethyl 5-(cyclohexanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
CID 59001285
Ethyl 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxylate
CID 59001289
5-(Cyclopropanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
CID 59001336
Ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxylate
CID 59001408
5-(Cyclopentanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
CID 59001437
Ethyl 5-(cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxylate
CID 59001460
5-(Cyclopentanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxylic acid
CID 59001507
5-Acetamido-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
CID 59001536
Ethyl 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
CID 59001537
Ethyl 5-(cyclobutanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxylate
CID 59001546

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The IUPAC name of 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (CID 59001290) is 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc(F)cc2)c2nc(NC(=O)C3CCC3)sc12.
What is the InChIKey of 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The InChIKey is GKDCXHMLBCMUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-9-4-6-10(7-5-9)21-13-12(11(20-21)15(23)24)25-16(18-13)19-14(22)8-2-1-3-8/h4-8H,1-3H2,(H,23,24)(H,18,19,22).
What are the key properties of 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 59001290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).