2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine

C8H11F3N2S — CID 106782352

IUPAC2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
SMILESCCC(C)(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-3-7(2,12)5-4-13-6(14-5)8(9,10)11/h4H,3,12H2,1-2H3
InChIKeyBAVONJOBHXOOQV-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.75
Rot. Bonds2

About 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine

2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine (PubChem CID 106782352) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
PubChem CID106782352
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
SMILESCCC(C)(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-3-7(2,12)5-4-13-6(14-5)8(9,10)11/h4H,3,12H2,1-2H3
InChIKeyBAVONJOBHXOOQV-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine (CID 106782352) is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine is CCC(C)(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The InChIKey is BAVONJOBHXOOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-3-7(2,12)5-4-13-6(14-5)8(9,10)11/h4H,3,12H2,1-2H3.
What are the key properties of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine has a molecular weight of 224.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine is sourced from PubChem (CID 106782352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).