2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole

C12H18F3N3S — CID 59776844

IUPAC2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)N1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H18F3N3S/c1-11(2,3)18-6-4-17(5-7-18)10-16-8-9(19-10)12(13,14)15/h8H,4-7H2,1-3H3
InChIKeyBDAMZSCLTUSYLX-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.08
Rot. Bonds1

About 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole

2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 59776844) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
PubChem CID59776844
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)N1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H18F3N3S/c1-11(2,3)18-6-4-17(5-7-18)10-16-8-9(19-10)12(13,14)15/h8H,4-7H2,1-3H3
InChIKeyBDAMZSCLTUSYLX-UHFFFAOYSA-N
XLogP3.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
CID 134790024
5-Methyl-2-(piperazin-1-yl)thiazole
CID 21100190
(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 164637805
1-(5-Trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100200
2-(Piperazin-1-yl)-5-(trifluoromethyl)thiazole
CID 21100201
4-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 21100293
4-(5-Trifluoromethyl-thiazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 67549316
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3-thiazole
CID 89652816
5-(Fluoromethyl)-2-piperidin-1-yl-1,3-thiazole
CID 90154893
1-(5-Methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine
CID 123961253
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 133521928
1-[4-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 133521953

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole (CID 59776844) is 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole is CC(C)(C)N1CCN(c2ncc(C(F)(F)F)s2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is BDAMZSCLTUSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-11(2,3)18-6-4-17(5-7-18)10-16-8-9(19-10)12(13,14)15/h8H,4-7H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole?
2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 293.36 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 59776844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).