1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C11H17F3N2OS — CID 116730788

IUPAC1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(C)(C)c1nc(C(F)(F)F)c(CNC)s1
InChIInChI=1S/C11H17F3N2OS/c1-5-17-10(2,3)9-16-8(11(12,13)14)7(18-9)6-15-4/h15H,5-6H2,1-4H3
InChIKeyNTUKWOCUFOEKNT-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.15
Rot. Bonds5

About 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 116730788) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID116730788
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(C)(C)c1nc(C(F)(F)F)c(CNC)s1
InChIInChI=1S/C11H17F3N2OS/c1-5-17-10(2,3)9-16-8(11(12,13)14)7(18-9)6-15-4/h15H,5-6H2,1-4H3
InChIKeyNTUKWOCUFOEKNT-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
CID 125438175
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490310
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827653
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 64539098
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65720185
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 80306583
2-[[4-Methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol
CID 83959791
4-[[4-Methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine
CID 83959797
1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102929004
N-[[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 102929005
N-[[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102929006
N-[[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102929007

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 116730788) is 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCOC(C)(C)c1nc(C(F)(F)F)c(CNC)s1.
What is the InChIKey of 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is NTUKWOCUFOEKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-5-17-10(2,3)9-16-8(11(12,13)14)7(18-9)6-15-4/h15H,5-6H2,1-4H3.
What are the key properties of 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 282.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 116730788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).