N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine

C8H11F3N2OS — CID 62445400

IUPACN-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-12-2-7-13-6(4-15-7)3-14-5-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyGVJNEJHHUYEVMR-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine

N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 62445400) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID62445400
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC NameN-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-12-2-7-13-6(4-15-7)3-14-5-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyGVJNEJHHUYEVMR-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

2-methoxy-N-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanamine
CID 53996606
5-(Difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole
CID 156526024
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962133
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55073108
N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 55077413
N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55077459
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732804
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490761
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61526468
[4-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445219
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62445594
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62445595

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine (CID 62445400) is N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine is CNCc1nc(COCC(F)(F)F)cs1.
What is the InChIKey of N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is GVJNEJHHUYEVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-12-2-7-13-6(4-15-7)3-14-5-8(9,10)11/h4,12H,2-3,5H2,1H3.
What are the key properties of N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-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-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62445400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).