4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine

C8H11F3N2S — CID 106784136

IUPAC4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
SMILESCC(N)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-5(12)2-3-6-4-13-7(14-6)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeySECCZYHZQAOFEA-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.44
Rot. Bonds3

About 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine

4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine (PubChem CID 106784136) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
PubChem CID106784136
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
SMILESCC(N)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-5(12)2-3-6-4-13-7(14-6)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeySECCZYHZQAOFEA-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine (CID 106784136) is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine is CC(N)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The InChIKey is SECCZYHZQAOFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-5(12)2-3-6-4-13-7(14-6)8(9,10)11/h4-5H,2-3,12H2,1H3.
What are the key properties of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine has a molecular weight of 224.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine is sourced from PubChem (CID 106784136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).