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

C9H13F3N2OS — CID 103476026

IUPACN-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-2-13-3-7-4-14-8(16-7)5-15-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3
InChIKeyKELRBDOYRPQNMJ-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.33
Rot. Bonds6

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

N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 103476026) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID103476026
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC NameN-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-2-13-3-7-4-14-8(16-7)5-15-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3
InChIKeyKELRBDOYRPQNMJ-UHFFFAOYSA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53553124
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 72043646
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
N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458538
N',N'-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 121378930
3-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine
CID 122642788
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
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 103476026) is N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(COCC(F)(F)F)s1.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is KELRBDOYRPQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-2-13-3-7-4-14-8(16-7)5-15-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3.
What are the key properties of N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 254.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103476026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).