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

C9H13ClF3N3S — CID 120833675

IUPAC5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CN2CCNCC2)s1
InChIInChI=1S/C9H12F3N3S.ClH/c10-9(11,12)8-14-5-7(16-8)6-15-3-1-13-2-4-15;/h5,13H,1-4,6H2;1H
InChIKeyBQOZRCHFBAXKMG-UHFFFAOYSA-N
MW287.74 g/mol
LogP1.99
Rot. Bonds2

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

5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride (PubChem CID 120833675) has the molecular formula C9H13ClF3N3S and a molecular weight of 287.74 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
PubChem CID120833675
Molecular FormulaC9H13ClF3N3S
Molecular Weight287.74 g/mol
Exact Mass287.05
IUPAC Name5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CN2CCNCC2)s1
InChIInChI=1S/C9H12F3N3S.ClH/c10-9(11,12)8-14-5-7(16-8)6-15-3-1-13-2-4-15;/h5,13H,1-4,6H2;1H
InChIKeyBQOZRCHFBAXKMG-UHFFFAOYSA-N
XLogP1.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 51.99
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;hydrochloride?
The IUPAC name of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride (CID 120833675) is 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride is Cl.FC(F)(F)c1ncc(CN2CCNCC2)s1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The InChIKey is BQOZRCHFBAXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S.ClH/c10-9(11,12)8-14-5-7(16-8)6-15-3-1-13-2-4-15;/h5,13H,1-4,6H2;1H.
What are the key properties of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride has a molecular weight of 287.74 g/mol, XLogP of 1.99, 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;hydrochloride is sourced from PubChem (CID 120833675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).