5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

C9H10F3N3O2S — CID 145121538

IUPAC5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)sc1N1CCNCC1
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)8-14-5(7(16)17)6(18-8)15-3-1-13-2-4-15/h13H,1-4H2,(H,16,17)
InChIKeyZZFPLFNRIASBNP-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.27
Rot. Bonds2

About 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 145121538) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID145121538
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC Name5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)sc1N1CCNCC1
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)8-14-5(7(16)17)6(18-8)15-3-1-13-2-4-15/h13H,1-4H2,(H,16,17)
InChIKeyZZFPLFNRIASBNP-UHFFFAOYSA-N
XLogP1.27
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (CID 145121538) is 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(C(F)(F)F)sc1N1CCNCC1.
What is the InChIKey of 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZZFPLFNRIASBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c10-9(11,12)8-14-5(7(16)17)6(18-8)15-3-1-13-2-4-15/h13H,1-4H2,(H,16,17).
What are the key properties of 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 281.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 145121538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).