3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole

C9H12F3N3S — CID 170073193

IUPAC3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole
SMILESFC(F)(F)c1cc(CN2CCNCC2)ns1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-5-7(14-16-8)6-15-3-1-13-2-4-15/h5,13H,1-4,6H2
InChIKeyFXLKQPOVXCNIAR-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.57
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole

3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole (PubChem CID 170073193) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole
PubChem CID170073193
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole
SMILESFC(F)(F)c1cc(CN2CCNCC2)ns1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-5-7(14-16-8)6-15-3-1-13-2-4-15/h5,13H,1-4,6H2
InChIKeyFXLKQPOVXCNIAR-UHFFFAOYSA-N
XLogP1.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole (CID 170073193) is 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole is FC(F)(F)c1cc(CN2CCNCC2)ns1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole?
The InChIKey is FXLKQPOVXCNIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)8-5-7(14-16-8)6-15-3-1-13-2-4-15/h5,13H,1-4,6H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole?
3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole has a molecular weight of 251.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 170073193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).