N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine

C7H9F3N2S — CID 4566442

IUPACN-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCNCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2S/c1-11-3-2-6-12-5(4-13-6)7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyJTIFIERDBDKGDL-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.92
Rot. Bonds3

About N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine

N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 4566442) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID4566442
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC NameN-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCNCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2S/c1-11-3-2-6-12-5(4-13-6)7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyJTIFIERDBDKGDL-UHFFFAOYSA-N
XLogP1.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine (CID 4566442) is N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine is CNCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is JTIFIERDBDKGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-11-3-2-6-12-5(4-13-6)7(8,9)10/h4,11H,2-3H2,1H3.
What are the key properties of N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 210.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 4566442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).