4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride

C9H13ClF3N3S — CID 21100177

IUPAC4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCc1nc(N2CCNCC2)sc1C(F)(F)F.Cl
InChIInChI=1S/C9H12F3N3S.ClH/c1-6-7(9(10,11)12)16-8(14-6)15-4-2-13-3-5-15;/h13H,2-5H2,1H3;1H
InChIKeyQNARSEHOXNWEFN-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.30
Rot. Bonds1

About 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride

4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride (PubChem CID 21100177) has the molecular formula C9H13ClF3N3S and a molecular weight of 287.74 g/mol. Its IUPAC name is 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
PubChem CID21100177
Molecular FormulaC9H13ClF3N3S
Molecular Weight287.74 g/mol
Exact Mass287.05
IUPAC Name4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCc1nc(N2CCNCC2)sc1C(F)(F)F.Cl
InChIInChI=1S/C9H12F3N3S.ClH/c1-6-7(9(10,11)12)16-8(14-6)15-4-2-13-3-5-15;/h13H,2-5H2,1H3;1H
InChIKeyQNARSEHOXNWEFN-UHFFFAOYSA-N
XLogP2.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride (CID 21100177) is 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride is Cc1nc(N2CCNCC2)sc1C(F)(F)F.Cl.
What is the InChIKey of 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The InChIKey is QNARSEHOXNWEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S.ClH/c1-6-7(9(10,11)12)16-8(14-6)15-4-2-13-3-5-15;/h13H,2-5H2,1H3;1H.
What are the key properties of 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride has a molecular weight of 287.74 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 21100177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).