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

C11H17F3N4OS — CID 107305979

IUPACN-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H17F3N4OS/c1-7(2)15-5-8-6-19-4-3-18(8)10-16-9(17-20-10)11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyDZTAQKKZKCBXFJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.76
Rot. Bonds4

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

N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine (PubChem CID 107305979) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine
PubChem CID107305979
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC NameN-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H17F3N4OS/c1-7(2)15-5-8-6-19-4-3-18(8)10-16-9(17-20-10)11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyDZTAQKKZKCBXFJ-UHFFFAOYSA-N
XLogP1.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine (CID 107305979) is N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is DZTAQKKZKCBXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-7(2)15-5-8-6-19-4-3-18(8)10-16-9(17-20-10)11(12,13)14/h7-8,15H,3-6H2,1-2H3.
What are the key properties of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine?
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 310.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 107305979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).