[6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine

C10H15F3N4OS — CID 107306301

IUPAC[6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
SMILESCC1(C)CN(c2nc(C(F)(F)F)ns2)CC(CN)O1
InChIInChI=1S/C10H15F3N4OS/c1-9(2)5-17(4-6(3-14)18-9)8-15-7(16-19-8)10(11,12)13/h6H,3-5,14H2,1-2H3
InChIKeyYCSBAKICJIKIHU-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.50
Rot. Bonds2

About [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine

[6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine (PubChem CID 107306301) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
PubChem CID107306301
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name[6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
SMILESCC1(C)CN(c2nc(C(F)(F)F)ns2)CC(CN)O1
InChIInChI=1S/C10H15F3N4OS/c1-9(2)5-17(4-6(3-14)18-9)8-15-7(16-19-8)10(11,12)13/h6H,3-5,14H2,1-2H3
InChIKeyYCSBAKICJIKIHU-UHFFFAOYSA-N
XLogP1.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine?
The IUPAC name of [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine (CID 107306301) is [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine is CC1(C)CN(c2nc(C(F)(F)F)ns2)CC(CN)O1.
What is the InChIKey of [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine?
The InChIKey is YCSBAKICJIKIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-9(2)5-17(4-6(3-14)18-9)8-15-7(16-19-8)10(11,12)13/h6H,3-5,14H2,1-2H3.
What are the key properties of [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine?
[6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine has a molecular weight of 296.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 107306301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).