2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride

C9H13ClF3N3S — CID 21100179

IUPAC2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)Cc1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H12F3N3S.ClH/c10-9(11,12)5-7-6-14-8(16-7)15-3-1-13-2-4-15;/h6,13H,1-5H2;1H
InChIKeyMBUBEEIYYQESBV-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.08
Rot. Bonds2

About 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride

2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride (PubChem CID 21100179) has the molecular formula C9H13ClF3N3S and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride
PubChem CID21100179
Molecular FormulaC9H13ClF3N3S
Molecular Weight287.74 g/mol
Exact Mass287.05
IUPAC Name2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)Cc1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H12F3N3S.ClH/c10-9(11,12)5-7-6-14-8(16-7)15-3-1-13-2-4-15;/h6,13H,1-5H2;1H
InChIKeyMBUBEEIYYQESBV-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
CID 44593264
N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
CID 44593283
N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
CID 44593287
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide
CID 44593288
1-(5-Ethyl-1,3-thiazol-2-yl)piperazine
CID 54595657
5-[2-(dimethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 12259634
5-Methyl-2-(piperazin-1-yl)thiazole
CID 21100190
2-Piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 21100180
1-(5-Trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100200
2-(Piperazin-1-yl)-5-(trifluoromethyl)thiazole
CID 21100201
4-[5-(2,2,2-Trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 21100263
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole
CID 123748006

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride (CID 21100179) is 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride is Cl.FC(F)(F)Cc1cnc(N2CCNCC2)s1.
What is the InChIKey of 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride?
The InChIKey is MBUBEEIYYQESBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S.ClH/c10-9(11,12)5-7-6-14-8(16-7)15-3-1-13-2-4-15;/h6,13H,1-5H2;1H.
What are the key properties of 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride?
2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride has a molecular weight of 287.74 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 21100179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).