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

C7H9F3N2OS — CID 103476023

IUPAC[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)4-13-3-6-12-2-5(1-11)14-6/h2H,1,3-4,11H2
InChIKeyPILPKDOAHMKNFG-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.68
Rot. Bonds4

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

[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 103476023) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID103476023
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)4-13-3-6-12-2-5(1-11)14-6/h2H,1,3-4,11H2
InChIKeyPILPKDOAHMKNFG-UHFFFAOYSA-N
XLogP1.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanamine hydrochloride
CID 165691597
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
5-(Difluoromethyl)-2-thiazolemethanol
CID 84652029
2-(Difluoromethyl) thiazol-5-YL)methanamine
CID 84764773
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
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
[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]methanamine
CID 61392586

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 103476023) is [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(COCC(F)(F)F)s1.
What is the InChIKey of [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is PILPKDOAHMKNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)4-13-3-6-12-2-5(1-11)14-6/h2H,1,3-4,11H2.
What are the key properties of [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 226.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103476023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).