N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine

C8H11F3N2OS — CID 103476025

IUPACN-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-12-2-6-3-13-7(15-6)4-14-5-8(9,10)11/h3,12H,2,4-5H2,1H3
InChIKeyVOVYONIQYBRRID-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 103476025) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID103476025
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC NameN-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-12-2-6-3-13-7(15-6)4-14-5-8(9,10)11/h3,12H,2,4-5H2,1H3
InChIKeyVOVYONIQYBRRID-UHFFFAOYSA-N
XLogP1.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine
CID 138032714
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458327
N'-[[2-(trifluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458519
3-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine
CID 122642788
4-[[2-(2-Fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine
CID 143305266
2,2,2-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 156060729
5-(Difluoromethyl)-2-(methoxymethyl)-1,3-thiazole
CID 169595106
Methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 176941473
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 60983252
2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281215

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 103476025) is N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine is CNCc1cnc(COCC(F)(F)F)s1.
What is the InChIKey of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VOVYONIQYBRRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-12-2-6-3-13-7(15-6)4-14-5-8(9,10)11/h3,12H,2,4-5H2,1H3.
What are the key properties of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 240.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103476025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).