1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine

C11H17F3N2OS — CID 84588245

IUPAC1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine
SMILESCOCC(NCc1nc(C(F)(F)F)cs1)C(C)C
InChIInChI=1S/C11H17F3N2OS/c1-7(2)8(5-17-3)15-4-10-16-9(6-18-10)11(12,13)14/h6-8,15H,4-5H2,1-3H3
InChIKeyDONCMIGPTWZAGO-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.92
Rot. Bonds6

About 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine

1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine (PubChem CID 84588245) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine
PubChem CID84588245
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine
SMILESCOCC(NCc1nc(C(F)(F)F)cs1)C(C)C
InChIInChI=1S/C11H17F3N2OS/c1-7(2)8(5-17-3)15-4-10-16-9(6-18-10)11(12,13)14/h6-8,15H,4-5H2,1-3H3
InChIKeyDONCMIGPTWZAGO-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine (CID 84588245) is 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine is COCC(NCc1nc(C(F)(F)F)cs1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine?
The InChIKey is DONCMIGPTWZAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-7(2)8(5-17-3)15-4-10-16-9(6-18-10)11(12,13)14/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine?
1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine has a molecular weight of 282.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 84588245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).