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

C9H13F3N2S — CID 61392803

IUPACN-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(CC(F)(F)F)nc1C
InChIInChI=1S/C9H13F3N2S/c1-5(13-3)8-6(2)14-7(15-8)4-9(10,11)12/h5,13H,4H2,1-3H3
InChIKeyJLRSFJNUGBFFMJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.84
Rot. Bonds3

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

N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 61392803) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID61392803
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(CC(F)(F)F)nc1C
InChIInChI=1S/C9H13F3N2S/c1-5(13-3)8-6(2)14-7(15-8)4-9(10,11)12/h5,13H,4H2,1-3H3
InChIKeyJLRSFJNUGBFFMJ-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (CID 61392803) is N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(CC(F)(F)F)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is JLRSFJNUGBFFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-5(13-3)8-6(2)14-7(15-8)4-9(10,11)12/h5,13H,4H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 238.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61392803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).