N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C10H15F3N4OS — CID 107304840

IUPACN-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CN1CCOCC1)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-7(6-17-2-4-18-5-3-17)14-9-15-8(16-19-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyXVEUEOSQYIEUNF-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.69
Rot. Bonds4

About N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304840) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304840
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CN1CCOCC1)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-7(6-17-2-4-18-5-3-17)14-9-15-8(16-19-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyXVEUEOSQYIEUNF-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304840) is N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(CN1CCOCC1)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is XVEUEOSQYIEUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-7(6-17-2-4-18-5-3-17)14-9-15-8(16-19-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 296.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).