2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine

C7H10F3N3OS — CID 107305912

IUPAC2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine
SMILESCC(C)(N)COc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-6(2,11)3-14-5-12-4(13-15-5)7(8,9)10/h3,11H2,1-2H3
InChIKeyPVAUEGPHNLZAMF-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.67
Rot. Bonds3

About 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine

2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine (PubChem CID 107305912) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine
PubChem CID107305912
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine
SMILESCC(C)(N)COc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-6(2,11)3-14-5-12-4(13-15-5)7(8,9)10/h3,11H2,1-2H3
InChIKeyPVAUEGPHNLZAMF-UHFFFAOYSA-N
XLogP1.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine?
The IUPAC name of 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine (CID 107305912) is 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine?
The canonical SMILES for 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine is CC(C)(N)COc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine?
The InChIKey is PVAUEGPHNLZAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-6(2,11)3-14-5-12-4(13-15-5)7(8,9)10/h3,11H2,1-2H3.
What are the key properties of 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine?
2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine has a molecular weight of 241.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]propan-2-amine is sourced from PubChem (CID 107305912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).