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

C9H12F3N3S — CID 120833676

IUPAC5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CN2CCNCC2)s1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-14-5-7(16-8)6-15-3-1-13-2-4-15/h5,13H,1-4,6H2
InChIKeyWMAAXHLBNKXUBO-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.57
Rot. Bonds2

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

5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 120833676) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID120833676
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CN2CCNCC2)s1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-14-5-7(16-8)6-15-3-1-13-2-4-15/h5,13H,1-4,6H2
InChIKeyWMAAXHLBNKXUBO-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

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 120833676) is 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(CN2CCNCC2)s1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is WMAAXHLBNKXUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)8-14-5-7(16-8)6-15-3-1-13-2-4-15/h5,13H,1-4,6H2.
What are the key properties of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-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 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 120833676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).