4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole

C9H10BrF3N2S — CID 79399927

IUPAC4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)C1CCCN(c2nc(Br)cs2)C1
InChIInChI=1S/C9H10BrF3N2S/c10-7-5-16-8(14-7)15-3-1-2-6(4-15)9(11,12)13/h5-6H,1-4H2
InChIKeyCNXNROXDNRGSNX-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.68
Rot. Bonds1

About 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole

4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole (PubChem CID 79399927) has the molecular formula C9H10BrF3N2S and a molecular weight of 315.16 g/mol. Its IUPAC name is 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
PubChem CID79399927
Molecular FormulaC9H10BrF3N2S
Molecular Weight315.16 g/mol
Exact Mass313.97
IUPAC Name4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)C1CCCN(c2nc(Br)cs2)C1
InChIInChI=1S/C9H10BrF3N2S/c10-7-5-16-8(14-7)15-3-1-2-6(4-15)9(11,12)13/h5-6H,1-4H2
InChIKeyCNXNROXDNRGSNX-UHFFFAOYSA-N
XLogP3.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole (CID 79399927) is 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole is FC(F)(F)C1CCCN(c2nc(Br)cs2)C1.
What is the InChIKey of 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is CNXNROXDNRGSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2S/c10-7-5-16-8(14-7)15-3-1-2-6(4-15)9(11,12)13/h5-6H,1-4H2.
What are the key properties of 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 315.16 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 79399927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).