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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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).