1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine

C8H11F3N2S — CID 61392802

IUPAC1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CC(F)(F)F)sc1C(C)N
InChIInChI=1S/C8H11F3N2S/c1-4(12)7-5(2)13-6(14-7)3-8(9,10)11/h4H,3,12H2,1-2H3
InChIKeyQFYBMWOYLFLJRY-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.58
Rot. Bonds2

About 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine

1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 61392802) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID61392802
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CC(F)(F)F)sc1C(C)N
InChIInChI=1S/C8H11F3N2S/c1-4(12)7-5(2)13-6(14-7)3-8(9,10)11/h4H,3,12H2,1-2H3
InChIKeyQFYBMWOYLFLJRY-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (CID 61392802) is 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(CC(F)(F)F)sc1C(C)N.
What is the InChIKey of 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is QFYBMWOYLFLJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-4(12)7-5(2)13-6(14-7)3-8(9,10)11/h4H,3,12H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61392802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).