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

C9H12F3N3S — CID 21100178

IUPAC4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(N2CCNCC2)sc1C(F)(F)F
InChIInChI=1S/C9H12F3N3S/c1-6-7(9(10,11)12)16-8(14-6)15-4-2-13-3-5-15/h13H,2-5H2,1H3
InChIKeyUTRFDOCORXJUQF-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.88
Rot. Bonds1

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

4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 21100178) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
PubChem CID21100178
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(N2CCNCC2)sc1C(F)(F)F
InChIInChI=1S/C9H12F3N3S/c1-6-7(9(10,11)12)16-8(14-6)15-4-2-13-3-5-15/h13H,2-5H2,1H3
InChIKeyUTRFDOCORXJUQF-UHFFFAOYSA-N
XLogP1.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.88
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?
The IUPAC name of 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole (CID 21100178) is 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole is Cc1nc(N2CCNCC2)sc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is UTRFDOCORXJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-6-7(9(10,11)12)16-8(14-6)15-4-2-13-3-5-15/h13H,2-5H2,1H3.
What are the key properties of 4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole?
4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 251.28 g/mol, XLogP of 1.88, 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 is sourced from PubChem (CID 21100178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).