piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone

C9H10F3N3OS — CID 67629568

IUPACpiperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)cs1)N1CCNCC1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)6-5-17-7(14-6)8(16)15-3-1-13-2-4-15/h5,13H,1-4H2
InChIKeyHLTWTXZHFJNBPV-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.21
Rot. Bonds1

About piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone

piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone (PubChem CID 67629568) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
PubChem CID67629568
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Namepiperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)cs1)N1CCNCC1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)6-5-17-7(14-6)8(16)15-3-1-13-2-4-15/h5,13H,1-4H2
InChIKeyHLTWTXZHFJNBPV-UHFFFAOYSA-N
XLogP1.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone 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 piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone (CID 67629568) is piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone is O=C(c1nc(C(F)(F)F)cs1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?
The InChIKey is HLTWTXZHFJNBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)6-5-17-7(14-6)8(16)15-3-1-13-2-4-15/h5,13H,1-4H2.
What are the key properties of piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?
piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone has a molecular weight of 265.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 67629568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).