4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole

C9H11BrF3N3S — CID 79398689

IUPAC4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)CN1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H11BrF3N3S/c10-7-5-17-8(14-7)16-3-1-15(2-4-16)6-9(11,12)13/h5H,1-4,6H2
InChIKeyIZLVRUJNWIPWII-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.59
Rot. Bonds2

About 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole

4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 79398689) has the molecular formula C9H11BrF3N3S and a molecular weight of 330.17 g/mol. Its IUPAC name is 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole
PubChem CID79398689
Molecular FormulaC9H11BrF3N3S
Molecular Weight330.17 g/mol
Exact Mass328.98
IUPAC Name4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)CN1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H11BrF3N3S/c10-7-5-17-8(14-7)16-3-1-15(2-4-16)6-9(11,12)13/h5H,1-4,6H2
InChIKeyIZLVRUJNWIPWII-UHFFFAOYSA-N
XLogP2.59
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole (CID 79398689) is 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole is FC(F)(F)CN1CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is IZLVRUJNWIPWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N3S/c10-7-5-17-8(14-7)16-3-1-15(2-4-16)6-9(11,12)13/h5H,1-4,6H2.
What are the key properties of 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole?
4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 330.17 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 79398689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).