4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C5H4BrF3N2S — CID 79398747

IUPAC4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CNc1nc(Br)cs1
InChIInChI=1S/C5H4BrF3N2S/c6-3-1-12-4(11-3)10-2-5(7,8)9/h1H,2H2,(H,10,11)
InChIKeyUAQPUPKKWZVKJF-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.88
Rot. Bonds2

About 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 79398747) has the molecular formula C5H4BrF3N2S and a molecular weight of 261.07 g/mol. Its IUPAC name is 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID79398747
Molecular FormulaC5H4BrF3N2S
Molecular Weight261.07 g/mol
Exact Mass259.92
IUPAC Name4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CNc1nc(Br)cs1
InChIInChI=1S/C5H4BrF3N2S/c6-3-1-12-4(11-3)10-2-5(7,8)9/h1H,2H2,(H,10,11)
InChIKeyUAQPUPKKWZVKJF-UHFFFAOYSA-N
XLogP2.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 79398747) is 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is FC(F)(F)CNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is UAQPUPKKWZVKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF3N2S/c6-3-1-12-4(11-3)10-2-5(7,8)9/h1H,2H2,(H,10,11).
What are the key properties of 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 261.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79398747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).