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

C8H11F3N2S — CID 79154156

IUPAC2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CC(F)(F)F)sc1CCN
InChIInChI=1S/C8H11F3N2S/c1-5-6(2-3-12)14-7(13-5)4-8(9,10)11/h2-4,12H2,1H3
InChIKeyDVNPZAOJAXGDCN-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.06
Rot. Bonds3

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

2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79154156) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79154156
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CC(F)(F)F)sc1CCN
InChIInChI=1S/C8H11F3N2S/c1-5-6(2-3-12)14-7(13-5)4-8(9,10)11/h2-4,12H2,1H3
InChIKeyDVNPZAOJAXGDCN-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (CID 79154156) is 2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(CC(F)(F)F)sc1CCN.
What is the InChIKey of 2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is DVNPZAOJAXGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-5-6(2-3-12)14-7(13-5)4-8(9,10)11/h2-4,12H2,1H3.
What are the key properties of 2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79154156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).