1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine

C8H11F3N2S — CID 61337241

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2S/c1-2-3-5(12)7-13-6(4-14-7)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeyPRIPTJISDCIOJS-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.96
Rot. Bonds3

About 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 61337241) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID61337241
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2S/c1-2-3-5(12)7-13-6(4-14-7)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeyPRIPTJISDCIOJS-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine (CID 61337241) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine is CCCC(N)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is PRIPTJISDCIOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-2-3-5(12)7-13-6(4-14-7)8(9,10)11/h4-5H,2-3,12H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 224.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 61337241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).