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

C11H17F3N2OS — CID 62446351

IUPAC2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-8(2)3-15-4-10-16-9(6-18-10)5-17-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyXUPUAYOMBYEIOD-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.97
Rot. Bonds7

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

2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62446351) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62446351
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-8(2)3-15-4-10-16-9(6-18-10)5-17-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyXUPUAYOMBYEIOD-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62446351) is 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nc(COCC(F)(F)F)cs1.
What is the InChIKey of 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is XUPUAYOMBYEIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-8(2)3-15-4-10-16-9(6-18-10)5-17-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 282.33 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62446351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).