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

C14H9F3N4O3S — CID 59001245

IUPAC5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESCC(=O)Nc1nc2c(s1)c(C(=O)O)nn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9F3N4O3S/c1-6(22)18-13-19-11-10(25-13)9(12(23)24)20-21(11)8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H,23,24)(H,18,19,22)
InChIKeyVOAOLKOJQCCIKF-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.16
Rot. Bonds3

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

5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (PubChem CID 59001245) has the molecular formula C14H9F3N4O3S and a molecular weight of 370.31 g/mol. Its IUPAC name is 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
PubChem CID59001245
Molecular FormulaC14H9F3N4O3S
Molecular Weight370.31 g/mol
Exact Mass370.03
IUPAC Name5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESCC(=O)Nc1nc2c(s1)c(C(=O)O)nn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9F3N4O3S/c1-6(22)18-13-19-11-10(25-13)9(12(23)24)20-21(11)8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H,23,24)(H,18,19,22)
InChIKeyVOAOLKOJQCCIKF-UHFFFAOYSA-N
XLogP3.16
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(Cyclobutanecarbonylamino)-1-(4-fluorophenyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
CID 59001290
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-[(3-Chlorobenzoyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-d][1,3]thiazole-3-carboxylic acid
CID 59001467
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

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The IUPAC name of 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (CID 59001245) is 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is CC(=O)Nc1nc2c(s1)c(C(=O)O)nn2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The InChIKey is VOAOLKOJQCCIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3S/c1-6(22)18-13-19-11-10(25-13)9(12(23)24)20-21(11)8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H,23,24)(H,18,19,22).
What are the key properties of 5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
5-acetamido-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid has a molecular weight of 370.31 g/mol, XLogP of 3.16, 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-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 59001245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).