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

C7H8BrF3N2S — CID 130668140

IUPAC5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(CC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H8BrF3N2S/c1-4(2-7(9,10)11)13-6-12-3-5(8)14-6/h3-4H,2H2,1H3,(H,12,13)
InChIKeyNXBNPBTXZZKVEA-UHFFFAOYSA-N
MW289.12 g/mol
LogP3.66
Rot. Bonds3

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

5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 130668140) has the molecular formula C7H8BrF3N2S and a molecular weight of 289.12 g/mol. Its IUPAC name is 5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine
PubChem CID130668140
Molecular FormulaC7H8BrF3N2S
Molecular Weight289.12 g/mol
Exact Mass287.95
IUPAC Name5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(CC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H8BrF3N2S/c1-4(2-7(9,10)11)13-6-12-3-5(8)14-6/h3-4H,2H2,1H3,(H,12,13)
InChIKeyNXBNPBTXZZKVEA-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine (CID 130668140) is 5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine is CC(CC(F)(F)F)Nc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is NXBNPBTXZZKVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N2S/c1-4(2-7(9,10)11)13-6-12-3-5(8)14-6/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine?
5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 289.12 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130668140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).