4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine

C8H10BrF3N2S — CID 115520618

IUPAC4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCCCNc1nc(Br)cs1
InChIInChI=1S/C8H10BrF3N2S/c9-6-5-15-7(14-6)13-4-2-1-3-8(10,11)12/h5H,1-4H2,(H,13,14)
InChIKeyMGTVLWJARHDYBM-UHFFFAOYSA-N
MW303.15 g/mol
LogP4.05
Rot. Bonds5

About 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine

4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine (PubChem CID 115520618) has the molecular formula C8H10BrF3N2S and a molecular weight of 303.15 g/mol. Its IUPAC name is 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
PubChem CID115520618
Molecular FormulaC8H10BrF3N2S
Molecular Weight303.15 g/mol
Exact Mass301.97
IUPAC Name4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCCCNc1nc(Br)cs1
InChIInChI=1S/C8H10BrF3N2S/c9-6-5-15-7(14-6)13-4-2-1-3-8(10,11)12/h5H,1-4H2,(H,13,14)
InChIKeyMGTVLWJARHDYBM-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine (CID 115520618) is 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine is FC(F)(F)CCCCNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
The InChIKey is MGTVLWJARHDYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2S/c9-6-5-15-7(14-6)13-4-2-1-3-8(10,11)12/h5H,1-4H2,(H,13,14).
What are the key properties of 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine has a molecular weight of 303.15 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115520618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).